data_2m76_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 2m76 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.495 1.603 0 CA-C-O 120.824 0.26 . . . . 1.0 112.247 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.76 -43.76 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -41.79 99.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.908 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.61 -41.61 98.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.496 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -66.38 -41.43 89.43 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.67 -43.7 93.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.036 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.107 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.14 -45.99 92.39 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 120.279 -0.568 . . . . 1.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -41.85 98.91 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.626 0.727 . . . . 1.0 110.674 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -67.51 -37.67 83.15 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.771 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.13 95.28 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.37 -42.21 98.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.371 0.586 . . . . 1.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.8 -42.71 98.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -70.83 -34.82 72.08 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.211 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -57.05 -38.81 73.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.29 -40.2 70.77 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.594 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -62.08 -41.14 97.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.898 0.856 . . . . 1.0 111.466 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.87 -32.43 65.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.944 -1.48 . . . . 1.0 111.024 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -82.96 -5.28 59.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 1.0 112.149 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -52.14 -43.92 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.94 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.88 -49.71 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.323 -0.951 . . . . 1.0 110.917 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.37 -40.45 89.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -62.4 -41.68 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.623 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.3 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.534 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo . . . . . 0 N--CA 1.498 1.756 0 CA-C-O 120.853 0.272 . . . . 1.0 111.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.89 -43.3 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.39 -41.71 98.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.801 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.08 -40.98 97.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.304 -0.558 . . . . 1.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.85 -41.2 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.0 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.51 -43.75 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.592 -0.443 . . . . 1.0 109.831 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.39 -46.49 89.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 1.0 110.845 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.52 -42.16 99.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.74 -38.1 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.504 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.29 97.28 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.199 -0.589 . . . . 1.0 110.81 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -63.39 -40.44 97.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.946 -0.702 . . . . 1.0 109.851 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.1 p -71.48 -31.85 67.59 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 122.343 1.068 . . . . 1.0 110.13 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' LEU . 76.2 t-105 -61.21 -37.37 82.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.426 -1.261 . . . . 1.0 111.059 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.01 -37.81 77.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 119.413 -0.327 . . . . 1.0 110.137 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -64.04 -45.34 89.27 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 118.328 -1.349 . . . . 1.0 109.491 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -69.18 -33.1 72.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 113.289 -1.778 . . . . 1.0 111.132 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.0 tp -81.81 -7.78 59.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.281 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -50.75 -44.02 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.489 0.552 . . . . 1.0 112.489 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -60.24 -49.63 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.483 -0.887 . . . . 1.0 111.249 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -66.67 -40.42 88.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 1.0 110.865 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.836 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.58 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.496 1.658 0 N-CA-C 113.254 0.444 . . . . 1.0 113.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -71.54 -37.29 63.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.32 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.14 -41.47 99.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.863 0.363 . . . . 1.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.27 -41.56 99.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.744 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.08 -40.61 87.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.61 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.33 -41.9 92.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-O 121.087 0.47 . . . . 1.0 109.741 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.68 -45.75 91.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.943 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.11 -42.41 99.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.8 m -64.18 -38.86 92.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.61 -38.37 95.6 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 120.771 -0.728 . . . . 1.0 111.405 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.9 -41.3 97.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 117.793 0.796 . . . . 1.0 110.392 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.234 -0.586 . . . . 1.0 110.788 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.6 p -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.421 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.5 m0 -60.07 -35.15 74.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.61 -39.74 77.56 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.312 -0.955 . . . . 1.0 109.589 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.53 -43.82 96.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.157 0.979 . . . . 1.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -72.9 -35.42 67.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.532 -1.667 . . . . 1.0 111.139 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.78 -5.42 59.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.242 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -52.1 -43.41 63.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.836 0.309 . . . . 1.0 111.836 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.38 -49.49 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.201 -1.0 . . . . 1.0 110.371 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.0 -44.86 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.139 0.495 . . . . 1.0 110.895 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -63.11 -41.25 99.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.746 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.612 -179.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo . . . . . 0 N--CA 1.495 1.613 0 CA-C-O 120.962 0.317 . . . . 1.0 111.951 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.6 -43.66 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.774 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.59 -40.53 97.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.447 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.012 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.48 -41.04 85.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.411 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 31' ' ' ILE . 90.3 mt -63.83 -44.03 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.801 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.36 -46.52 89.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.56 -43.89 97.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 1.0 110.288 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -65.04 -43.19 93.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.193 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.39 -34.6 90.4 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.85 -42.18 99.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.474 0.637 . . . . 1.0 109.828 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -63.13 -40.62 98.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.978 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -70.96 -34.04 71.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.035 0.445 . . . . 1.0 111.146 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.429 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -56.23 -42.63 77.59 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.509 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.71 -44.22 97.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.531 1.158 . . . . 1.0 110.326 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -67.7 -33.97 75.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 112.722 -2.035 . . . . 1.0 110.537 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.09 -4.48 56.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 p -51.57 -44.4 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.335 0.495 . . . . 1.0 112.335 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.15 -50.95 71.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.406 -0.917 . . . . 1.0 111.315 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.46 -40.56 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 1.0 110.77 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -61.0 -44.2 97.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.264 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.139 -179.596 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 CA-C-O 120.637 0.182 . . . . 1.0 112.165 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.08 -43.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.5 99.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.713 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.15 -40.37 97.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.39 -39.52 89.1 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.245 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.31 -44.4 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.93 -0.396 . . . . 1.0 109.93 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.97 -47.77 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.07 99.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 1.0 110.881 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.2 p -68.68 -37.75 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.221 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.557 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.66 -41.82 88.76 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.538 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.32 -42.12 98.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.517 0.659 . . . . 1.0 110.526 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -64.23 -41.88 96.82 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.382 -0.527 . . . . 1.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -72.89 -36.57 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.809 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.4 m0 -59.9 -37.79 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.82 -44.28 94.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.558 -0.857 . . . . 1.0 110.414 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -64.34 -40.24 95.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.88 -33.3 30.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.498 -0.774 . . . . 1.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' TRP . 45.8 tp -79.91 -26.33 40.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -59.34 -45.05 92.46 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.392 -0.817 . . . . 1.0 111.571 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.13 -46.64 88.13 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.782 -0.767 . . . . 1.0 111.7 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -62.05 -43.18 99.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.446 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -73.49 -43.83 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.799 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.333 -0.152 0 CA-C-O 120.904 0.383 . . . . 1.0 110.178 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 N--CA 1.498 1.762 0 N-CA-C 113.595 0.575 . . . . 1.0 113.595 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.58 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.578 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.05 -41.81 99.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.823 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.59 -41.43 96.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.526 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.26 -42.08 93.61 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.919 -0.712 . . . . 1.0 109.652 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.05 97.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.88 -46.18 91.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.054 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.13 -41.26 99.28 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.958 0.408 . . . . 1.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.5 p -67.98 -34.94 77.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.36 -38.39 91.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.483 -1.047 . . . . 1.0 110.483 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.64 -42.55 99.06 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 122.092 -0.652 . . . . 1.0 110.364 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.44 -41.45 98.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -71.32 -36.17 71.48 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.025 0.441 . . . . 1.0 111.537 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.4 m0 -58.9 -37.23 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.978 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 -41.08 83.39 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.975 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -64.45 -39.32 93.6 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.069 -1.052 . . . . 1.0 110.992 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.04 -36.57 64.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.152 -1.385 . . . . 1.0 111.519 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.97 -5.37 59.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.6 -0.727 . . . . 1.0 112.338 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.3 m -51.56 -43.17 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.105 -0.372 . . . . 1.0 111.625 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.41 -49.29 78.15 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.891 -1.124 . . . . 1.0 110.295 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 111.316 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.98 -40.82 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.998 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.42 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.494 1.517 0 CA-C-O 120.748 0.228 . . . . 1.0 111.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.44 -43.34 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.87 -41.54 97.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.66 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.32 -41.52 98.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.334 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.198 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.98 -43.24 97.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 C-N-CA 120.599 -0.441 . . . . 1.0 109.813 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.05 -45.12 94.94 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 122.59 1.186 . . . . 1.0 109.462 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.88 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 119.014 -1.074 . . . . 1.0 110.668 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -66.73 -39.41 87.95 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 114.912 -1.04 . . . . 1.0 110.71 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.12 -38.36 95.86 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.26 0.53 . . . . 1.0 110.009 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.89 -41.15 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.432 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 t -70.38 -37.44 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.902 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 40.6 m0 -58.33 -33.87 69.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.895 -0.593 . . . . 1.0 112.156 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.89 -40.56 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.166 -0.614 . . . . 1.0 110.103 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.72 -44.31 96.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.351 1.072 . . . . 1.0 110.288 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -71.88 -33.5 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 113.13 -1.85 . . . . 1.0 111.254 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.2 tp -81.9 -6.87 59.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.132 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -56.68 -45.28 81.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.04 -49.59 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.113 -1.035 . . . . 1.0 110.802 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.54 -40.05 88.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.046 0.451 . . . . 1.0 111.032 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -63.41 -41.81 98.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.892 -0.595 . . . . 1.0 111.534 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.467 179.854 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo . . . . . 0 N--CA 1.496 1.645 0 CA-C-O 120.737 0.224 . . . . 1.0 111.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.6 -42.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.5 -41.18 96.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.929 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.07 -40.95 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.88 -40.76 87.91 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.639 -0.424 . . . . 1.0 109.86 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.76 -44.45 98.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.35 -46.17 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.075 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.74 -47.62 84.41 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.394 2.045 . . . . 1.0 109.036 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -61.63 -35.86 79.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 113.973 -1.467 . . . . 1.0 110.072 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.79 -39.19 97.67 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.421 0.61 . . . . 1.0 110.237 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -63.5 -43.46 97.16 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.375 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -70.95 -34.71 71.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 43.4 m0 -60.43 -35.35 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.599 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.34 -42.63 78.02 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.893 -0.723 . . . . 1.0 109.308 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.34 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.12 0.962 . . . . 1.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -72.72 -35.13 67.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 113.502 -1.681 . . . . 1.0 111.465 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' TRP . 97.8 mt -83.41 -5.58 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.879 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -51.57 -43.41 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.73 -51.93 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.225 -0.99 . . . . 1.0 110.264 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.04 -44.62 96.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 1.0 110.75 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -63.35 -40.62 97.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.402 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.378 179.671 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo . . . . . 0 N--CA 1.497 1.703 0 N-CA-C 113.232 0.435 . . . . 1.0 113.232 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 m -72.09 -37.76 61.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 119.867 -0.733 . . . . 1.0 110.643 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.2 -39.36 94.4 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.319 0.387 . . . . 1.0 111.712 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.92 -43.74 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.647 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -61.43 -44.02 97.85 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.079 -0.649 . . . . 1.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.99 -42.92 97.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.507 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -68.01 -36.78 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.182 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 -39.46 95.97 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.04 -42.36 99.1 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.566 0.683 . . . . 1.0 110.564 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.71 -42.05 98.01 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.1 p -71.53 -33.49 69.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 1.0 110.446 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -60.82 -38.86 86.87 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.397 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.12 -36.25 74.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.123 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.46 -38.29 90.59 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.182 -1.007 . . . . 1.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -80.26 -16.29 55.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 114.911 -1.041 . . . . 1.0 109.541 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.04 -6.59 59.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.546 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.28 -43.98 79.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.051 -0.5 . . . . 1.0 111.927 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.79 -51.25 70.11 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.233 0.924 . . . . 1.0 110.87 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.72 -39.72 88.12 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.131 0.491 . . . . 1.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.23 -43.36 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.586 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.72 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 120.695 0.206 . . . . 1.0 112.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.61 -42.79 87.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.34 -41.59 98.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.451 -0.795 . . . . 1.0 111.287 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.71 -41.84 98.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.963 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.77 -39.07 84.13 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.545 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.85 -43.39 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.014 -0.675 . . . . 1.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.27 -46.77 88.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.787 -0.365 . . . . 1.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.077 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -66.03 -35.84 81.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.575 -0.738 . . . . 1.0 109.666 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.42 92.19 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.468 -1.053 . . . . 1.0 110.468 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.9 -43.42 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -62.66 -42.06 99.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.678 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -70.26 -35.43 73.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.191 0.519 . . . . 1.0 110.386 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -60.62 -37.4 81.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.478 -0.783 . . . . 1.0 111.646 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.68 -32.44 70.49 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -61.94 -44.41 96.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.907 1.23 . . . . 1.0 108.347 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.23 -1.804 . . . . 1.0 110.027 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 tp -81.53 -8.75 59.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 t -57.36 -45.93 83.89 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.44 0.533 . . . . 1.0 112.44 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.07 -48.2 81.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 118.367 -1.333 . . . . 1.0 110.85 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -62.34 -44.17 97.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.125 0.488 . . . . 1.0 110.5 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -61.03 -41.92 97.49 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.512 -0.767 . . . . 1.0 112.283 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.538 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 N--CA 1.5 1.859 0 N-CA-C 113.838 0.669 . . . . 1.0 113.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.76 -45.12 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.429 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -41.7 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.837 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -65.23 -40.88 94.64 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.27 -38.94 89.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.385 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.75 -43.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.403 -0.519 . . . . 1.0 111.191 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -61.73 -45.52 93.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.112 -0.635 . . . . 1.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.5 -41.83 98.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.862 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -62.58 -41.98 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.847 0.356 . . . . 1.0 110.483 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.77 94.52 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 121.247 -0.502 . . . . 1.0 111.984 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.0 -43.83 98.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.612 0.706 . . . . 1.0 111.044 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -64.12 -41.05 97.39 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 119.775 -0.77 . . . . 1.0 110.529 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.417 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 17.4 m -71.22 -36.81 71.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.595 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.6 t90 -60.91 -38.67 86.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.187 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.51 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.221 -0.592 . . . . 1.0 110.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.32 -37.35 87.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.696 0.76 . . . . 1.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 38' ' ' SER . 79.9 m80 -80.08 -32.48 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.251 -1.34 . . . . 1.0 111.329 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' TRP . 39.5 tp -81.49 -13.44 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.184 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -58.3 -46.88 85.3 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.33 -0.856 . . . . 1.0 112.729 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.631 ' NH2' ' CZ ' ' A' ' 46' ' ' PHE . 74.0 ttp85 -59.81 -46.71 88.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.311 -0.956 . . . . 1.0 111.061 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.631 ' CZ ' ' NH2' ' A' ' 45' ' ' ARG . 87.6 m-85 -66.33 -39.28 89.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.492 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -66.1 -40.87 91.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.779 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.482 179.68 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo . . . . . 0 N--CA 1.49 1.284 0 N-CA-C 112.448 0.134 . . . . 1.0 112.448 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.13 -43.34 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.06 -41.9 98.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.033 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -64.34 -41.27 96.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.687 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.75 -41.12 92.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.46 -43.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -60.74 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.609 -0.437 . . . . 1.0 110.701 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.0 -42.62 99.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.218 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -63.23 -32.6 74.04 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 39' ' ' TRP . . . -62.69 -36.2 92.95 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.07 -42.28 99.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.192 0.996 . . . . 1.0 110.667 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.92 -43.26 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.252 -0.579 . . . . 1.0 110.909 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 p -70.49 -36.22 73.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.366 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 47.3 m0 -60.73 -34.11 73.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.999 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.88 -40.91 73.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.123 -0.631 . . . . 1.0 110.183 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.68 -42.97 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.608 1.194 . . . . 1.0 110.828 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.62 -33.88 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 112.94 -1.936 . . . . 1.0 110.696 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.4 tp -81.76 -7.88 59.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.174 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -57.03 -45.57 83.03 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.903 -0.498 . . . . 1.0 112.149 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -60.36 -49.59 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 118.692 -1.203 . . . . 1.0 110.989 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.68 -39.97 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 1.0 111.318 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -62.4 -40.96 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.214 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 1.0 110.474 179.441 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.505 2.153 0 N-CA-C 113.958 0.714 . . . . 1.0 113.958 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.15 -46.37 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-O 123.589 1.662 . . . . 1.0 108.317 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.6 -40.7 88.35 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.182 -1.407 . . . . 1.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.02 -41.51 99.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.748 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.16 -40.28 94.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.398 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.984 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -61.0 -46.43 90.79 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.38 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.15 -41.71 99.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.6 p -66.57 -35.13 79.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.634 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.91 -36.25 92.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.63 -41.36 97.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.701 0.751 . . . . 1.0 110.072 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.61 -39.75 95.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.995 -0.682 . . . . 1.0 110.123 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 m -70.82 -37.16 73.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.551 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LEU . 56.8 m95 -63.24 -34.84 78.54 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.484 0.55 . . . . 1.0 112.484 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.22 -44.98 84.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.05 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.079 0.942 . . . . 1.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.53 -34.68 70.26 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 113.663 -1.608 . . . . 1.0 111.719 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 39' ' ' TRP . 33.3 tp -82.14 -7.95 59.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.181 -0.918 . . . . 1.0 110.776 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -52.84 -42.33 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.097 0.777 . . . . 1.0 113.097 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.87 -49.18 78.73 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.109 -1.036 . . . . 1.0 111.578 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -67.53 -38.36 84.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 1.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -64.26 -41.33 96.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.534 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.499 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo . . . . . 0 N--CA 1.485 0.975 0 N-CA-C 112.645 0.21 . . . . 1.0 112.645 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.95 -41.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 121.54 0.686 . . . . 1.0 109.657 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.87 -42.15 99.65 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.853 -1.067 . . . . 1.0 111.297 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -65.43 -40.44 93.32 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.26 0.466 . . . . 1.0 112.26 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.06 -42.17 85.18 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.781 -0.368 . . . . 1.0 111.409 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.2 pt -68.07 -41.71 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.028 -0.669 . . . . 1.0 109.8 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.78 -47.19 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 1.0 110.447 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.448 . . . . 1.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 t -62.97 -42.42 99.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.72 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.64 -37.96 95.53 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.893 -0.67 . . . . 1.0 111.537 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.46 -42.33 98.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.748 0.774 . . . . 1.0 110.195 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.23 -43.23 99.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.248 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -70.08 -35.65 74.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.122 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 41.1 m0 -58.89 -34.41 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.801 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.03 -42.01 75.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.219 -0.593 . . . . 1.0 109.932 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.294 1.045 . . . . 1.0 110.404 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -71.83 -34.11 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.365 -1.743 . . . . 1.0 110.938 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.6 tp -81.88 -8.09 59.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.926 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -51.43 -42.77 61.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -60.5 -50.14 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.123 -1.031 . . . . 1.0 110.871 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.96 -39.37 87.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.109 0.48 . . . . 1.0 110.781 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -62.16 -40.79 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.46 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.698 0.207 . . . . 1.0 112.278 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.38 -43.2 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.0 110.021 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.87 -41.62 99.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.936 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.28 -41.03 98.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.295 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.91 -41.35 87.26 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.769 -0.373 . . . . 1.0 110.307 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.5 -43.42 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.603 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.44 -47.92 83.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.75 -43.01 99.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.43 . . . . 1.0 110.084 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -63.17 -42.9 99.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.89 -38.21 95.77 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.585 -0.606 . . . . 1.0 111.585 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.548 0.674 . . . . 1.0 110.382 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -62.13 -43.32 99.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.327 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 p -71.0 -34.27 71.19 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.558 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.8 m0 -60.16 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.055 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.95 -40.0 75.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.078 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.73 -41.84 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 118.875 -1.13 . . . . 1.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.57 -34.93 67.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 113.842 -1.526 . . . . 1.0 110.995 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 43' ' ' LEU . 1.6 mm? -83.22 -6.78 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.242 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -51.09 -42.23 60.5 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.05 -49.85 75.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 119.422 -0.911 . . . . 1.0 110.761 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.11 -41.05 95.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.116 0.484 . . . . 1.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -61.55 -42.78 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.61 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.253 179.641 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.496 1.667 0 N-CA-C 113.621 0.585 . . . . 1.0 113.621 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.81 -45.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.607 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.34 -42.08 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.179 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.98 -40.71 97.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.687 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.32 -40.49 89.95 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.2 -43.54 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.44 -47.15 87.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.454 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.97 -43.04 99.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 1.0 110.334 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 m -62.59 -41.93 99.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.577 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.72 -37.75 94.76 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.015 -0.612 . . . . 1.0 111.693 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.8 -42.33 98.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.304 0.552 . . . . 1.0 110.892 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.27 -41.26 97.0 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.59 -40.71 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 1.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.416 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -58.61 -30.7 67.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.007 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.91 -45.21 93.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 117.802 -1.559 . . . . 1.0 108.032 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -63.95 -17.57 63.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.196 -1.366 . . . . 1.0 110.942 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -82.59 -6.93 59.62 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -56.89 -45.51 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.34 -49.8 76.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.175 -1.01 . . . . 1.0 110.636 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -66.91 -39.9 87.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.506 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -62.01 -40.62 96.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.383 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.079 179.516 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.984 0.327 . . . . 1.0 111.445 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.44 0.638 . . . . 1.0 109.901 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.32 -42.15 99.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.678 -1.146 . . . . 1.0 110.42 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.73 -42.68 95.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.183 -0.607 . . . . 1.0 111.554 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.8 -44.67 80.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 1.0 112.118 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.32 -41.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 119.673 -0.811 . . . . 1.0 110.322 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.72 -45.44 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.904 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 33' ' ' LEU . 1.5 mm? -63.4 -41.7 98.76 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 1.0 110.482 178.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.1 m -61.88 -42.9 99.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.566 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.68 94.62 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.985 -0.626 . . . . 1.0 111.598 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.05 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.534 0.667 . . . . 1.0 110.113 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.07 -42.96 99.79 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -70.2 -34.59 73.12 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.493 0.663 . . . . 1.0 110.96 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 74.3 t-105 -57.57 -38.98 75.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 1.0 111.377 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.43 -42.15 81.85 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -63.77 -39.74 94.98 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.113 0.959 . . . . 1.0 110.928 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.82 -32.61 62.02 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.648 -1.615 . . . . 1.0 111.02 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' TRP . 14.5 tp -81.12 -5.97 58.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.658 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 m -53.91 -44.32 70.46 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.778 0.659 . . . . 1.0 112.778 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.55 -51.39 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 118.806 -1.158 . . . . 1.0 110.935 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -65.12 -40.64 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.947 0.403 . . . . 1.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.94 -41.28 97.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.62 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--N 1.331 -0.22 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.245 179.815 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.495 1.605 0 N-CA-C 113.239 0.438 . . . . 1.0 113.239 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -71.24 -35.66 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.413 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.7 -41.06 98.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.381 . . . . 1.0 110.396 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.5 -40.9 98.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.97 -40.69 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.46 -43.71 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.177 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.06 -46.13 91.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.989 0.423 . . . . 1.0 110.712 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.27 -43.13 98.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.217 0.532 . . . . 1.0 110.425 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -61.71 -39.66 92.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.126 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.86 -40.7 99.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.165 -0.541 . . . . 1.0 111.806 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.66 -41.45 97.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.958 0.879 . . . . 1.0 111.1 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.26 -40.21 96.77 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.77 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -71.77 -35.63 70.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.269 0.557 . . . . 1.0 110.942 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 47.7 m0 -59.31 -33.14 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.718 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.27 -41.01 75.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.895 -0.722 . . . . 1.0 109.557 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -62.81 -46.38 88.24 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.653 -1.219 . . . . 1.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.97 -35.0 78.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.555 -1.657 . . . . 1.0 111.209 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' TRP . 94.6 mt -81.56 -6.5 59.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.224 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -56.97 -45.8 82.63 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.951 -0.468 . . . . 1.0 112.228 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.03 -49.7 76.89 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.604 -0.838 . . . . 1.0 110.846 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.05 -41.05 91.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.135 0.493 . . . . 1.0 111.339 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -62.04 -40.59 96.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.643 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 C--O 1.236 0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.238 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.788 0.245 . . . . 1.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.24 -43.03 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.199 0.523 . . . . 1.0 109.867 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.08 -41.68 98.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.275 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.43 -42.99 95.71 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.92 -40.09 95.67 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.179 -0.675 . . . . 1.0 109.179 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.93 -44.85 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 119.14 -1.024 . . . . 1.0 110.432 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -59.17 -46.25 88.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.193 -0.603 . . . . 1.0 110.312 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.25 -40.69 97.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.259 0.552 . . . . 1.0 110.404 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 m -67.08 -38.24 85.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.76 0.791 . . . . 1.0 110.436 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.29 -38.5 95.96 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -42.45 98.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.631 0.715 . . . . 1.0 110.063 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -64.17 -41.34 97.16 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.242 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -71.5 -38.04 71.2 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.407 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.1 m0 -58.7 -36.33 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 1.0 112.246 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.79 -40.89 66.69 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.512 -0.875 . . . . 1.0 109.552 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.58 -44.15 96.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.025 0.917 . . . . 1.0 111.34 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -72.69 -35.66 67.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.947 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.64 -5.06 59.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 1.0 112.484 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.64 -44.9 81.75 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.789 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.24 -48.82 80.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.085 -1.046 . . . . 1.0 110.316 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.128 0.49 . . . . 1.0 111.011 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -62.25 -41.05 98.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.82 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.422 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.494 1.53 0 CA-C-O 120.658 0.191 . . . . 1.0 111.931 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.08 -41.99 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.423 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.376 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.42 -40.42 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.895 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -67.28 -41.09 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.6 -43.44 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.79 -46.41 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.155 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.46 -42.28 98.61 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.879 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.23 -36.57 83.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.376 -0.529 . . . . 1.0 110.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -65.48 -38.11 94.46 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.625 -0.798 . . . . 1.0 111.451 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.02 -42.03 98.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.601 0.7 . . . . 1.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -63.09 -43.77 97.6 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.569 -0.453 . . . . 1.0 110.457 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -70.68 -36.67 73.42 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.292 0.568 . . . . 1.0 111.32 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.0 m0 -58.64 -33.92 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 111.51 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.8 -41.83 78.43 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.859 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.62 -40.07 93.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.35 1.072 . . . . 1.0 110.441 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -75.7 -34.06 60.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 113.177 -1.828 . . . . 1.0 111.403 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' TRP . 12.9 tp -82.25 -6.09 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.204 1.001 . . . . 1.0 111.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -57.68 -45.6 85.4 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.067 -0.396 . . . . 1.0 111.559 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.12 -51.08 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.393 -0.923 . . . . 1.0 110.441 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -67.92 -39.25 83.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 1.0 111.713 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE3' ' ND2' ' A' ' 48' ' ' ASN . 34.1 t90 -63.47 -39.75 95.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.685 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.622 ' ND2' ' CE3' ' A' ' 47' ' ' TRP . 9.9 m120 . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.93 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.91 89.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -114.4 126.62 55.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.52 151.7 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -114.0 142.16 46.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -64.43 -40.1 95.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.28 151.37 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.17 -45.05 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.85 178.36 48.43 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.24 149.13 51.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.697 0.284 . . . . 1.0 110.505 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -50.1 168.31 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.137 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' O ' ' OG1' ' A' ' 15' ' ' THR . 22.4 Cg_exo -61.03 144.57 99.52 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.672 1.581 . . . . 1.0 112.126 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -61.85 -33.29 73.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.039 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.2 -41.84 98.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 12' ' ' PRO . 50.3 p -65.32 -34.01 77.33 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.48 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.5 146.46 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.229 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.66 109.48 21.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.713 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.89 -39.35 96.47 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 144.53 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 1.0 110.706 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.47 -39.65 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.21 159.23 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.24 25.57 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.779 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 24' ' ' SER . 90.0 mt -63.19 -42.45 99.34 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.407 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 2.2 m 153.79 18.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.783 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.32 -50.65 63.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.94 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -54.06 -44.99 44.37 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.632 1.555 . . . . 1.0 112.247 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.76 -43.76 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -41.79 99.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.908 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.61 -41.61 98.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.496 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -66.38 -41.43 89.43 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.67 -43.7 93.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.036 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.107 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.14 -45.99 92.39 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 120.279 -0.568 . . . . 1.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -41.85 98.91 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.626 0.727 . . . . 1.0 110.674 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -67.51 -37.67 83.15 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.771 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.13 95.28 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.37 -42.21 98.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.371 0.586 . . . . 1.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.8 -42.71 98.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -70.83 -34.82 72.08 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.211 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -57.05 -38.81 73.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.29 -40.2 70.77 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.594 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -62.08 -41.14 97.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.898 0.856 . . . . 1.0 111.466 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.87 -32.43 65.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.944 -1.48 . . . . 1.0 111.024 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -82.96 -5.28 59.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 1.0 112.149 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -52.14 -43.92 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.94 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.88 -49.71 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.323 -0.951 . . . . 1.0 110.917 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.37 -40.45 89.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -62.4 -41.68 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.623 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.48 -40.84 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -94.87 110.86 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.565 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.03 67.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.91 -34.54 78.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.055 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.75 136.36 54.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.17 0.51 . . . . 1.0 111.005 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -66.68 -40.51 88.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.822 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -63.23 -39.79 95.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.675 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.76 -39.35 93.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 1.0 110.372 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.12 -45.76 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.405 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.21 -169.78 53.08 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.46 150.08 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 1.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -125.48 82.16 63.43 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.427 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -61.53 144.94 98.17 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.426 2.084 . . . . 1.0 111.919 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -72.13 147.06 47.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.673 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' CG ' ' HG ' ' A' ' 16' ' ' SER . 42.2 tp -110.63 126.04 54.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.752 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.9 p -111.56 1.29 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.778 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.491 ' HG ' ' CG ' ' A' ' 14' ' ' LEU . 79.1 p -61.33 -32.64 72.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.432 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -91.21 2.08 56.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.078 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 161.45 52.73 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.16 -1.176 . . . . 1.0 110.16 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.57 149.09 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 1.0 111.355 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.77 -36.84 83.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.73 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.8 t -120.36 132.61 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.002 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.11 -41.59 94.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.76 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.29 119.54 36.67 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.97 0.414 . . . . 1.0 111.458 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.5 m -146.33 -84.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.149 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -50.26 -49.68 74.94 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 1.0 112.062 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 48.4 Cg_exo -53.87 -42.65 64.82 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.748 1.632 . . . . 1.0 111.829 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.89 -43.3 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.39 -41.71 98.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.801 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.08 -40.98 97.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.304 -0.558 . . . . 1.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.85 -41.2 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.0 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.51 -43.75 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.592 -0.443 . . . . 1.0 109.831 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.39 -46.49 89.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 1.0 110.845 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.52 -42.16 99.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.74 -38.1 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.504 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.29 97.28 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.199 -0.589 . . . . 1.0 110.81 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -63.39 -40.44 97.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.946 -0.702 . . . . 1.0 109.851 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.1 p -71.48 -31.85 67.59 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 122.343 1.068 . . . . 1.0 110.13 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.51 ' O ' ' N ' ' A' ' 43' ' ' LEU . 76.2 t-105 -61.21 -37.37 82.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.426 -1.261 . . . . 1.0 111.059 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.01 -37.81 77.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 119.413 -0.327 . . . . 1.0 110.137 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -64.04 -45.34 89.27 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 118.328 -1.349 . . . . 1.0 109.491 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -69.18 -33.1 72.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 113.289 -1.778 . . . . 1.0 111.132 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.0 tp -81.81 -7.78 59.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.281 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -50.75 -44.02 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.489 0.552 . . . . 1.0 112.489 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -60.24 -49.63 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.483 -0.887 . . . . 1.0 111.249 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -66.67 -40.42 88.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 1.0 110.865 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.836 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.14 -41.16 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.95 112.13 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.654 -179.727 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.32 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.469 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.97 -40.17 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.631 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.53 141.68 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.517 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -66.28 -40.8 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.401 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -141.06 156.06 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.18 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.389 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.89 135.66 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.26 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.65 169.58 47.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -62.56 -43.0 99.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 1.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 1.7 ttt180 -162.02 -46.25 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.274 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' CD ' ' H ' ' A' ' 11' ' ' ARG . 22.8 Cg_exo -62.18 146.56 95.96 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.27 1.98 . . . . 1.0 112.027 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -65.26 147.29 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.613 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.8 -41.73 99.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.2 158.54 41.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.72 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 p -155.11 163.05 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.467 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.48 140.73 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.442 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.05 169.05 41.18 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 141.85 56.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 1.0 110.636 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -138.74 147.51 42.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.415 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.77 159.61 42.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.757 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -134.58 24.41 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' SER . 54.2 tp -63.05 -42.78 99.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.494 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.9 m 156.41 19.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.968 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -50.0 -49.45 74.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.041 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 41.2 Cg_exo -54.33 -47.11 28.69 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.923 1.749 . . . . 1.0 113.254 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -71.54 -37.29 63.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.32 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.14 -41.47 99.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.863 0.363 . . . . 1.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.27 -41.56 99.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.744 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.08 -40.61 87.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.61 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.33 -41.9 92.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-O 121.087 0.47 . . . . 1.0 109.741 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.68 -45.75 91.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.943 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.11 -42.41 99.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.8 m -64.18 -38.86 92.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.61 -38.37 95.6 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 120.771 -0.728 . . . . 1.0 111.405 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.9 -41.3 97.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 117.793 0.796 . . . . 1.0 110.392 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.234 -0.586 . . . . 1.0 110.788 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.6 p -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.421 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.5 m0 -60.07 -35.15 74.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.61 -39.74 77.56 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.312 -0.955 . . . . 1.0 109.589 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.53 -43.82 96.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.157 0.979 . . . . 1.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -72.9 -35.42 67.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.532 -1.667 . . . . 1.0 111.139 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.78 -5.42 59.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.242 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -52.1 -43.41 63.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.836 0.309 . . . . 1.0 111.836 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.38 -49.49 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.201 -1.0 . . . . 1.0 110.371 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.0 -44.86 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.139 0.495 . . . . 1.0 110.895 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -63.11 -41.25 99.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.746 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.45 -40.76 98.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -90.15 110.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.676 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.581 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' H1 ' ' H ' ' A' ' 2' ' ' ALA . 67.0 mtt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.422 ' H ' ' H1 ' ' A' ' 1' ' ' MET . . . -65.16 -38.21 89.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.241 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.02 136.1 57.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.75 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -117.04 133.69 55.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -95.28 133.06 39.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.155 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.02 86.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.1 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.1 131.53 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.121 0.486 . . . . 1.0 111.108 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.32 -178.09 45.71 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -128.68 149.07 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 46.57 72.54 1.22 Allowed Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.909 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -62.0 143.66 95.42 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.658 2.239 . . . . 1.0 111.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -76.82 162.17 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.831 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.42 131.51 54.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.291 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.3 p -67.35 -33.03 74.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.715 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -62.19 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.666 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -95.98 109.44 21.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 1.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.83 172.67 44.8 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.4 144.47 57.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.227 0.537 . . . . 1.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.65 -41.21 92.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 p -136.14 138.92 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.327 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.76 -40.57 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.623 -0.717 . . . . 1.0 112.294 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 24' ' ' SER . 87.9 mt -114.94 128.65 56.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER 156.05 19.58 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.65 179.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -48.65 -49.68 64.03 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.98 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.415 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 34.4 Cg_exo -55.2 -42.78 65.36 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.561 1.507 . . . . 1.0 111.951 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.6 -43.66 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.774 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.59 -40.53 97.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.447 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.012 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.48 -41.04 85.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.411 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 31' ' ' ILE . 90.3 mt -63.83 -44.03 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.801 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.36 -46.52 89.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.56 -43.89 97.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 1.0 110.288 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -65.04 -43.19 93.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.193 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.39 -34.6 90.4 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.85 -42.18 99.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.474 0.637 . . . . 1.0 109.828 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -63.13 -40.62 98.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.978 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -70.96 -34.04 71.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.035 0.445 . . . . 1.0 111.146 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.429 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -56.23 -42.63 77.59 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.509 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.71 -44.22 97.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.531 1.158 . . . . 1.0 110.326 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -67.7 -33.97 75.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 112.722 -2.035 . . . . 1.0 110.537 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.09 -4.48 56.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 p -51.57 -44.4 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.335 0.495 . . . . 1.0 112.335 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.15 -50.95 71.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.406 -0.917 . . . . 1.0 111.315 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.46 -40.56 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 1.0 110.77 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -61.0 -44.2 97.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.264 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 50' ' ' PHE . 6.8 m120 -63.37 -41.56 98.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.139 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.16 -18.25 61.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.449 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 91.2 m-85 . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.809 -1.091 . . . . 1.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.94 152.46 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.037 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 80.1 tt0 -60.98 143.9 54.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.566 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 3' ' ' GLU . . . 79.87 -30.39 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.69 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.431 ' H ' ' C ' ' A' ' 3' ' ' GLU . 93.4 m-70 -85.56 -12.08 52.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -64.28 -39.34 93.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.619 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.37 149.17 31.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.38 132.64 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.69 4.75 82.43 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -103.85 8.39 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 1.0 110.939 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -134.29 77.28 60.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.532 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -60.39 146.14 97.27 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.662 2.241 . . . . 1.0 112.673 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -60.43 -39.89 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -103.13 132.05 49.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.0 m -63.56 -44.52 93.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -155.55 163.09 40.44 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.758 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.2 p-10 -65.78 -31.54 72.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.864 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -160.84 170.07 36.64 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 144.02 57.26 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.407 0.146 . . . . 1.0 110.668 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 55.1 mp0 -65.25 -37.94 88.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 1.0 110.605 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.73 -45.22 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.876 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.07 -37.7 86.45 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.64 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' C ' ' H ' ' A' ' 25' ' ' ALA . 90.4 mt -106.34 127.18 53.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.799 0.333 . . . . 1.0 110.707 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -58.14 24.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.001 -0.545 . . . . 1.0 112.457 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.626 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -49.92 -48.08 78.96 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 112.297 0.48 . . . . 1.0 112.297 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 48.8 Cg_exo -52.88 -40.93 73.83 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.827 1.684 . . . . 1.0 112.165 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.08 -43.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.5 99.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.713 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.15 -40.37 97.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.39 -39.52 89.1 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.245 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.31 -44.4 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.93 -0.396 . . . . 1.0 109.93 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.97 -47.77 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.07 99.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 1.0 110.881 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.2 p -68.68 -37.75 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.221 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.557 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.66 -41.82 88.76 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.538 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.32 -42.12 98.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.517 0.659 . . . . 1.0 110.526 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -64.23 -41.88 96.82 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.382 -0.527 . . . . 1.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -72.89 -36.57 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.809 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.4 m0 -59.9 -37.79 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.82 -44.28 94.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.558 -0.857 . . . . 1.0 110.414 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -64.34 -40.24 95.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.88 -33.3 30.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.498 -0.774 . . . . 1.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' TRP . 45.8 tp -79.91 -26.33 40.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -59.34 -45.05 92.46 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.392 -0.817 . . . . 1.0 111.571 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.13 -46.64 88.13 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.782 -0.767 . . . . 1.0 111.7 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -62.05 -43.18 99.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.446 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -73.49 -43.83 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.799 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -63.9 -42.44 97.44 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.904 0.383 . . . . 1.0 110.178 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -96.04 110.11 22.4 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.897 -1.049 . . . . 1.0 109.872 -179.556 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.94 83.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.44 -36.5 84.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.362 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.53 87.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -89.58 125.93 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -139.33 155.74 47.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.464 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.05 58.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.552 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.42 -43.5 98.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.077 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.8 132.4 11.12 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -62.28 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 1.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 -138.64 78.56 31.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 14' ' ' LEU . 49.1 Cg_exo -53.36 -38.05 82.04 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.649 2.233 . . . . 1.0 112.293 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER 32.44 -89.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.619 0.574 . . . . 1.0 111.075 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' PRO . 38.5 tp -111.88 125.38 53.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.2 p -102.02 -1.84 30.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -70.96 147.08 49.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.48 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.15 -18.9 64.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.41 162.16 50.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.85 152.24 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 1.0 110.589 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.31 142.14 58.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.02 -24.54 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.763 -0.653 . . . . 1.0 111.285 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.97 -40.47 93.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.781 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.01 -41.7 99.64 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.647 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -65.33 102.72 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.07 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -73.45 -43.79 7.2 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.548 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 34.1 Cg_exo -58.18 -25.07 70.05 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 123.628 2.885 . . . . 1.0 113.595 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.58 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.578 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.05 -41.81 99.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.823 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.59 -41.43 96.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.526 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.26 -42.08 93.61 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.919 -0.712 . . . . 1.0 109.652 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.05 97.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.88 -46.18 91.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.054 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.13 -41.26 99.28 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.958 0.408 . . . . 1.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.5 p -67.98 -34.94 77.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.36 -38.39 91.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.483 -1.047 . . . . 1.0 110.483 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.64 -42.55 99.06 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 122.092 -0.652 . . . . 1.0 110.364 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.44 -41.45 98.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -71.32 -36.17 71.48 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.025 0.441 . . . . 1.0 111.537 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.4 m0 -58.9 -37.23 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.978 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 -41.08 83.39 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.975 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -64.45 -39.32 93.6 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.069 -1.052 . . . . 1.0 110.992 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.04 -36.57 64.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.152 -1.385 . . . . 1.0 111.519 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.97 -5.37 59.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.6 -0.727 . . . . 1.0 112.338 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.3 m -51.56 -43.17 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.105 -0.372 . . . . 1.0 111.625 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.41 -49.29 78.15 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.891 -1.124 . . . . 1.0 110.295 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 111.316 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.98 -40.82 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.998 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.9 -41.07 99.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.42 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -91.47 111.37 22.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.56 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.684 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.95 -38.56 88.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.95 144.2 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' VAL . 96.8 m-70 -65.66 -41.67 92.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 44.19 -129.63 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.398 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.55 89.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 5' ' ' HIS . 50.1 t -124.61 131.53 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.027 0.442 . . . . 1.0 111.827 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.81 -171.58 42.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -142.6 152.71 42.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 1.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -173.09 83.79 0.41 Allowed Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.42 -37.09 81.54 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.5 2.134 . . . . 1.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.3 m -70.14 148.63 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.42 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.9 mm? -97.37 132.1 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.837 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.1 p -82.16 168.8 17.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.978 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.96 0.93 3.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -92.32 -0.15 57.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.4 . . . . 1.0 110.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.27 164.16 47.87 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.344 -0.703 . . . . 1.0 111.344 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.31 148.11 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 1.0 111.047 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' LEU . 97.3 mt-10 59.65 39.09 21.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.274 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.0 -33.65 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.186 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.48 -35.91 82.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.7 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.631 ' C ' ' H ' ' A' ' 25' ' ' ALA . 40.8 tp -104.98 125.92 51.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -56.81 26.92 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.503 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.631 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -50.2 -48.18 80.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 O-C-N 122.148 -0.345 . . . . 1.0 111.608 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 53.0 Cg_exo -52.66 -40.5 73.24 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.783 1.655 . . . . 1.0 111.887 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.44 -43.34 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.87 -41.54 97.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.66 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.32 -41.52 98.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.334 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.198 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.98 -43.24 97.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 C-N-CA 120.599 -0.441 . . . . 1.0 109.813 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.05 -45.12 94.94 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 122.59 1.186 . . . . 1.0 109.462 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.88 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 119.014 -1.074 . . . . 1.0 110.668 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -66.73 -39.41 87.95 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 114.912 -1.04 . . . . 1.0 110.71 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.12 -38.36 95.86 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.26 0.53 . . . . 1.0 110.009 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.89 -41.15 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.432 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 t -70.38 -37.44 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.902 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 40.6 m0 -58.33 -33.87 69.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.895 -0.593 . . . . 1.0 112.156 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.89 -40.56 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.166 -0.614 . . . . 1.0 110.103 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.72 -44.31 96.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.351 1.072 . . . . 1.0 110.288 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -71.88 -33.5 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 113.13 -1.85 . . . . 1.0 111.254 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.2 tp -81.9 -6.87 59.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.132 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -56.68 -45.28 81.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.04 -49.59 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.113 -1.035 . . . . 1.0 110.802 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.54 -40.05 88.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.046 0.451 . . . . 1.0 111.032 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -63.41 -41.81 98.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.892 -0.595 . . . . 1.0 111.534 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.467 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.586 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 142.13 57.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.616 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.17 -41.01 90.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.03 151.22 25.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.588 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 8' ' ' VAL . 74.1 m80 -66.49 -40.41 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.86 -39.47 93.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.098 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.75 95.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.277 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' HIS . 2.5 p -133.39 137.63 52.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 1.0 110.8 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.51 -173.82 40.76 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -75.05 142.74 43.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 1.0 110.52 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -148.69 65.87 8.63 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.617 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.46 157.34 53.15 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.771 2.314 . . . . 1.0 112.566 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -61.77 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.232 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.684 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -63.32 -45.27 92.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 1.0 110.317 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -76.86 163.16 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.728 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -91.7 1.93 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.393 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.91 10.2 79.3 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.4 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 1.0 110.53 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -114.86 134.6 55.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.064 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.8 135.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.5 -35.27 79.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.633 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.1 mt -71.82 147.97 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.592 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.6 p -139.54 169.27 18.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.086 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.4 -52.11 45.74 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 -177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.93 -42.32 67.68 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.595 1.53 . . . . 1.0 111.831 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.6 -42.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.5 -41.18 96.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.929 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.07 -40.95 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.88 -40.76 87.91 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.639 -0.424 . . . . 1.0 109.86 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.76 -44.45 98.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -60.35 -46.17 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.075 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.74 -47.62 84.41 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.394 2.045 . . . . 1.0 109.036 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -61.63 -35.86 79.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 113.973 -1.467 . . . . 1.0 110.072 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.79 -39.19 97.67 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.421 0.61 . . . . 1.0 110.237 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -63.5 -43.46 97.16 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.375 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -70.95 -34.71 71.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 43.4 m0 -60.43 -35.35 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.599 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.34 -42.63 78.02 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.893 -0.723 . . . . 1.0 109.308 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.34 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.12 0.962 . . . . 1.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -72.72 -35.13 67.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 113.502 -1.681 . . . . 1.0 111.465 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' TRP . 97.8 mt -83.41 -5.58 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.879 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -51.57 -43.41 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.73 -51.93 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.225 -0.99 . . . . 1.0 110.264 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.04 -44.62 96.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 1.0 110.75 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -63.35 -40.62 97.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.402 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.86 -41.09 99.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.378 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.95 -41.44 99.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.582 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.09 -0.707 . . . . 1.0 109.09 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.62 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.121 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 51.73 80.93 0.08 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.622 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.64 153.49 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -111.71 137.27 49.84 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.96 -37.67 88.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.741 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.41 155.99 44.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.31 162.51 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.51 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.78 -162.56 26.49 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -104.37 116.73 32.64 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-O 120.878 0.37 . . . . 1.0 110.06 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -168.95 85.74 0.65 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.509 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.13 147.05 95.79 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.258 1.972 . . . . 1.0 111.913 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -154.55 163.41 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 1.0 109.98 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 16' ' ' SER . 3.8 mm? -62.57 -41.6 99.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.547 ' HG1' ' C ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER 62.02 -56.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.538 -0.755 . . . . 1.0 111.286 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.5 m -73.34 148.61 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 1.0 110.236 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -89.69 3.25 53.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.248 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.69 173.16 13.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.398 -1.081 . . . . 1.0 110.398 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.66 148.57 39.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.024 0.44 . . . . 1.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.98 -39.54 90.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.6 t -123.7 129.96 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.976 0.417 . . . . 1.0 110.645 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -104.4 5.27 34.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 24' ' ' SER . 83.2 mt -62.14 -42.81 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.176 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.1 p 156.19 19.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.753 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.6 -51.0 63.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.502 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -53.35 -46.67 32.17 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.746 1.631 . . . . 1.0 113.232 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 m -72.09 -37.76 61.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 119.867 -0.733 . . . . 1.0 110.643 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.2 -39.36 94.4 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.319 0.387 . . . . 1.0 111.712 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.92 -43.74 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.647 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -61.43 -44.02 97.85 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.079 -0.649 . . . . 1.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.99 -42.92 97.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.507 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -68.01 -36.78 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.182 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 -39.46 95.97 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.04 -42.36 99.1 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.566 0.683 . . . . 1.0 110.564 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.71 -42.05 98.01 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.1 p -71.53 -33.49 69.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 1.0 110.446 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -60.82 -38.86 86.87 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.397 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.12 -36.25 74.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.123 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.46 -38.29 90.59 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.182 -1.007 . . . . 1.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -80.26 -16.29 55.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 114.911 -1.041 . . . . 1.0 109.541 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.04 -6.59 59.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.546 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.28 -43.98 79.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.051 -0.5 . . . . 1.0 111.927 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.79 -51.25 70.11 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.233 0.924 . . . . 1.0 110.87 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.72 -39.72 88.12 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.131 0.491 . . . . 1.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.23 -43.36 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.586 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.26 -41.54 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -63.26 -43.53 97.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.763 -1.113 . . . . 1.0 110.898 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 141.61 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.141 0.496 . . . . 1.0 110.384 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.65 138.53 58.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.199 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.86 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.878 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -113.82 143.97 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.751 -0.659 . . . . 1.0 111.229 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -117.52 126.27 52.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.505 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -37.92 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.219 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.39 129.95 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.936 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.38 -172.91 42.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -87.33 125.54 34.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.155 0.502 . . . . 1.0 110.403 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -42.77 165.72 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.244 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -61.06 143.94 99.21 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.943 1.762 . . . . 1.0 111.448 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.7 p -79.49 160.37 26.58 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.313 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.75 -41.31 99.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -84.21 165.01 18.75 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 p -77.11 159.05 30.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 1.0 110.562 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.19 141.97 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.032 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.28 20.89 74.39 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.65 -25.15 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 1.0 111.29 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -62.0 -33.41 74.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.436 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -60.01 -26.67 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 121.112 -0.235 . . . . 1.0 111.23 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -115.85 127.78 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.173 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -144.83 172.01 13.62 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.06 -51.89 37.63 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.501 0.556 . . . . 1.0 112.501 -177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -54.32 -40.36 83.02 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.388 1.392 . . . . 1.0 112.168 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.61 -42.79 87.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.34 -41.59 98.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.451 -0.795 . . . . 1.0 111.287 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.71 -41.84 98.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.963 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.77 -39.07 84.13 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.545 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.85 -43.39 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.014 -0.675 . . . . 1.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.27 -46.77 88.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.787 -0.365 . . . . 1.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.077 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -66.03 -35.84 81.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.575 -0.738 . . . . 1.0 109.666 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.42 92.19 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.468 -1.053 . . . . 1.0 110.468 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.9 -43.42 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -62.66 -42.06 99.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.678 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -70.26 -35.43 73.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.191 0.519 . . . . 1.0 110.386 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.7 t90 -60.62 -37.4 81.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.478 -0.783 . . . . 1.0 111.646 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.68 -32.44 70.49 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -61.94 -44.41 96.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.907 1.23 . . . . 1.0 108.347 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.23 -1.804 . . . . 1.0 110.027 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 tp -81.53 -8.75 59.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.369 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 t -57.36 -45.93 83.89 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.44 0.533 . . . . 1.0 112.44 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.07 -48.2 81.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 118.367 -1.333 . . . . 1.0 110.85 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -62.34 -44.17 97.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.125 0.488 . . . . 1.0 110.5 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -61.03 -41.92 97.49 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.512 -0.767 . . . . 1.0 112.283 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.78 -40.57 96.99 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.538 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -94.99 110.05 22.0 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.188 0.518 . . . . 1.0 109.976 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.773 -1.108 . . . . 1.0 110.261 -179.546 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 ttp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.62 155.52 47.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.06 0.457 . . . . 1.0 111.364 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 141.64 58.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.18 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.53 147.56 45.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.901 0.381 . . . . 1.0 110.655 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -65.7 -41.72 91.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.825 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.09 -41.83 97.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.105 0.479 . . . . 1.0 109.96 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.5 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.509 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.2 -44.95 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.232 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.8 177.07 51.58 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.31 141.17 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 1.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -169.64 73.43 0.68 Allowed Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.07 143.93 99.58 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.573 2.182 . . . . 1.0 112.166 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.9 p -66.68 -21.31 66.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.716 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.0 mt -73.75 140.32 45.86 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.493 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p 54.77 169.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.857 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -75.16 161.61 29.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.478 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 37.5 p-10 -93.12 -0.44 56.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.729 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.62 6.1 77.47 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.46 -0.656 . . . . 1.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.73 56.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.633 0.217 . . . . 1.0 110.45 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -119.15 128.23 54.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.13 0.491 . . . . 1.0 111.288 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.5 -43.86 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.221 -0.9 . . . . 1.0 110.431 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.95 -38.38 90.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.075 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.23 -43.13 99.52 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.311 -0.556 . . . . 1.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -60.73 101.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.821 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -74.06 -42.53 5.8 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-O 121.138 0.494 . . . . 1.0 110.647 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 35.6 Cg_exo -59.31 -24.87 76.24 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 123.703 2.935 . . . . 1.0 113.838 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.76 -45.12 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.429 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -41.7 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.837 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -65.23 -40.88 94.64 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.27 -38.94 89.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.385 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.75 -43.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.403 -0.519 . . . . 1.0 111.191 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -61.73 -45.52 93.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.112 -0.635 . . . . 1.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.5 -41.83 98.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.862 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -62.58 -41.98 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.847 0.356 . . . . 1.0 110.483 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.77 94.52 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 121.247 -0.502 . . . . 1.0 111.984 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.0 -43.83 98.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.612 0.706 . . . . 1.0 111.044 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -64.12 -41.05 97.39 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 119.775 -0.77 . . . . 1.0 110.529 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.417 ' O ' ' ND1' ' A' ' 42' ' ' HIS . 17.4 m -71.22 -36.81 71.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.595 178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.6 t90 -60.91 -38.67 86.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.187 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.51 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.221 -0.592 . . . . 1.0 110.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.32 -37.35 87.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.696 0.76 . . . . 1.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 38' ' ' SER . 79.9 m80 -80.08 -32.48 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.251 -1.34 . . . . 1.0 111.329 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' TRP . 39.5 tp -81.49 -13.44 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.184 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -58.3 -46.88 85.3 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.33 -0.856 . . . . 1.0 112.729 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.631 ' NH2' ' CZ ' ' A' ' 46' ' ' PHE . 74.0 ttp85 -59.81 -46.71 88.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.311 -0.956 . . . . 1.0 111.061 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.631 ' CZ ' ' NH2' ' A' ' 45' ' ' ARG . 87.6 m-85 -66.33 -39.28 89.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.492 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -66.1 -40.87 91.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.779 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -63.32 -40.8 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.07 140.6 54.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.429 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.065 -0.969 . . . . 1.0 110.644 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.88 88.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.482 0.658 . . . . 1.0 110.597 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 56.8 mp0 -65.14 -41.25 94.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.832 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.85 153.46 28.27 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.411 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -65.63 -42.7 91.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 1.0 110.687 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -65.48 -39.21 91.68 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.76 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 68.17 118.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.707 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.37 134.65 63.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.14 8.23 85.81 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.58 149.52 52.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.725 0.298 . . . . 1.0 110.594 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -162.4 168.36 10.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 1.0 110.121 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -54.78 -38.8 91.78 Favored 'Trans proline' 0 N--CA 1.498 1.759 0 C-N-CA 121.915 1.743 . . . . 1.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.024 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 4.1 mm? -62.78 -41.85 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.3 p -66.34 -33.12 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.011 0.434 . . . . 1.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -86.83 -7.33 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.59 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 55.35 32.71 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.447 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.96 87.52 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.477 -0.649 . . . . 1.0 111.477 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 1.0 110.212 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -69.44 137.74 52.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.09 130.82 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.956 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.89 -43.18 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.067 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 38.5 tp -117.31 125.43 51.06 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.446 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 24' ' ' SER . 1.4 t 157.94 21.05 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.306 0.574 . . . . 1.0 109.58 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -49.83 -49.76 71.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.974 -177.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 45.2 Cg_exo -54.25 -44.0 53.44 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 121.71 1.607 . . . . 1.0 112.448 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.13 -43.34 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.06 -41.9 98.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.033 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -64.34 -41.27 96.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.687 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.75 -41.12 92.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.46 -43.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -60.74 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.609 -0.437 . . . . 1.0 110.701 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.0 -42.62 99.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.218 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -63.23 -32.6 74.04 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 39' ' ' TRP . . . -62.69 -36.2 92.95 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.07 -42.28 99.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.192 0.996 . . . . 1.0 110.667 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.92 -43.26 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.252 -0.579 . . . . 1.0 110.909 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 p -70.49 -36.22 73.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.366 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 47.3 m0 -60.73 -34.11 73.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.999 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.88 -40.91 73.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.123 -0.631 . . . . 1.0 110.183 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.68 -42.97 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.608 1.194 . . . . 1.0 110.828 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.62 -33.88 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 112.94 -1.936 . . . . 1.0 110.696 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.4 tp -81.76 -7.88 59.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.174 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -57.03 -45.57 83.03 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.903 -0.498 . . . . 1.0 112.149 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -60.36 -49.59 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 118.692 -1.203 . . . . 1.0 110.989 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.68 -39.97 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 1.0 111.318 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -62.4 -40.96 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.214 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.56 -41.16 98.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 1.0 110.474 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -91.65 106.48 18.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.938 -1.03 . . . . 1.0 110.409 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.13 142.85 56.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.673 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -133.26 146.19 51.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.32 103.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.636 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -66.14 -40.71 90.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.601 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.45 134.4 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 1.0 110.701 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.3 149.11 37.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.6 t -121.64 130.46 74.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.755 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.84 -45.7 81.25 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.167 -0.54 . . . . 1.0 111.794 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -132.24 146.24 51.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.892 0.377 . . . . 1.0 110.945 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 160.22 0.73 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.367 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.03 151.41 61.81 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.775 2.317 . . . . 1.0 112.337 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 p -77.04 163.74 26.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.57 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.3 p -114.4 4.74 15.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -73.32 158.69 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 1.0 110.736 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -78.6 151.97 32.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.82 -5.55 66.63 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.64 141.33 55.41 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.244 -0.28 . . . . 1.0 110.244 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -166.84 91.68 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG13 ' H ' ' A' ' 24' ' ' SER . 56.1 t -123.69 133.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.9 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.52 -37.57 87.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.45 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.55 -43.2 99.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.701 0.286 . . . . 1.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.423 ' H ' HG13 ' A' ' 21' ' ' VAL . 4.1 m -66.12 101.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.099 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.626 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -72.36 -42.56 8.98 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.41 176.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 31.5 Cg_exo -58.93 -26.18 80.14 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 124.05 3.167 . . . . 1.0 113.958 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.15 -46.37 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-O 123.589 1.662 . . . . 1.0 108.317 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.6 -40.7 88.35 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.182 -1.407 . . . . 1.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.02 -41.51 99.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.748 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.16 -40.28 94.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.398 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.984 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -61.0 -46.43 90.79 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.38 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.15 -41.71 99.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.6 p -66.57 -35.13 79.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.634 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.91 -36.25 92.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.63 -41.36 97.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.701 0.751 . . . . 1.0 110.072 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.61 -39.75 95.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.995 -0.682 . . . . 1.0 110.123 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 m -70.82 -37.16 73.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.551 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LEU . 56.8 m95 -63.24 -34.84 78.54 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.484 0.55 . . . . 1.0 112.484 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.22 -44.98 84.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.05 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.079 0.942 . . . . 1.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.53 -34.68 70.26 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 113.663 -1.608 . . . . 1.0 111.719 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 39' ' ' TRP . 33.3 tp -82.14 -7.95 59.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.181 -0.918 . . . . 1.0 110.776 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -52.84 -42.33 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.097 0.777 . . . . 1.0 113.097 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.87 -49.18 78.73 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.109 -1.036 . . . . 1.0 111.578 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -67.53 -38.36 84.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 1.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -64.26 -41.33 96.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.534 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.83 -40.9 98.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.77 141.81 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.696 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.907 -1.044 . . . . 1.0 110.754 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.82 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.74 136.95 53.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.438 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.34 144.57 56.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.515 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -110.87 138.37 47.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -75.33 141.22 43.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.743 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 146.17 55.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.288 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -116.72 131.0 70.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.76 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.85 -170.8 39.78 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.408 -1.077 . . . . 1.0 110.408 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -89.51 120.03 30.46 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.376 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -175.05 77.83 0.32 Allowed Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.192 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.07 144.28 99.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.523 2.149 . . . . 1.0 111.933 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -72.63 146.41 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.682 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.96 141.14 42.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.495 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 46.7 p -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.5 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.85 -34.44 75.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.727 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -87.85 113.37 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -3.13 67.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.997 0.427 . . . . 1.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -97.03 144.89 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -121.08 131.26 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.694 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -99.28 -0.79 40.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.387 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 24' ' ' SER . 89.1 mt -106.7 129.19 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.732 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.3 p 156.56 18.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.247 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.25 -50.32 65.01 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -54.68 -42.2 70.68 Favored 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 121.086 1.19 . . . . 1.0 112.645 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.95 -41.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 121.54 0.686 . . . . 1.0 109.657 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.87 -42.15 99.65 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.853 -1.067 . . . . 1.0 111.297 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -65.43 -40.44 93.32 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.26 0.466 . . . . 1.0 112.26 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.06 -42.17 85.18 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.781 -0.368 . . . . 1.0 111.409 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.2 pt -68.07 -41.71 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.028 -0.669 . . . . 1.0 109.8 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.78 -47.19 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 1.0 110.447 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.448 . . . . 1.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 t -62.97 -42.42 99.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.72 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.64 -37.96 95.53 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.893 -0.67 . . . . 1.0 111.537 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.46 -42.33 98.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.748 0.774 . . . . 1.0 110.195 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.23 -43.23 99.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.248 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -70.08 -35.65 74.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.122 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 41.1 m0 -58.89 -34.41 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.801 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.03 -42.01 75.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.219 -0.593 . . . . 1.0 109.932 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.294 1.045 . . . . 1.0 110.404 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -71.83 -34.11 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.365 -1.743 . . . . 1.0 110.938 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.6 tp -81.88 -8.09 59.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.926 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -51.43 -42.77 61.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -60.5 -50.14 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.123 -1.031 . . . . 1.0 110.871 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.96 -39.37 87.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.109 0.48 . . . . 1.0 110.781 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -62.16 -40.79 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.66 -40.97 98.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.46 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -94.79 110.92 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.47 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 ttp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.55 140.87 56.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.062 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 52.5 mp0 -106.21 122.07 45.47 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.024 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.83 91.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.943 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -111.97 130.21 55.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -116.35 125.39 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.059 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.78 140.35 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.124 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 18.4 m -65.07 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.343 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 11' ' ' ARG . . . -64.95 -33.4 87.12 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.61 -0.596 . . . . 1.0 111.61 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 8' ' ' VAL . 74.6 m-85 59.1 7.97 0.95 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.851 0.358 . . . . 1.0 110.13 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 9' ' ' GLY . 28.1 mtt-85 -146.71 71.71 12.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.452 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.38 143.46 99.48 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.587 2.192 . . . . 1.0 111.69 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.3 p -87.3 -7.65 57.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.4 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.07 130.59 50.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.695 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.8 p -131.83 160.67 34.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.501 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -59.86 -41.71 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.058 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -67.64 137.73 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.727 -0.472 . . . . 1.0 109.727 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . 71.19 18.28 76.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.71 91.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.729 0.3 . . . . 1.0 111.196 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -41.52 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.888 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' GLY . 31.1 m -124.85 130.54 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.597 -0.274 . . . . 1.0 110.474 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.81 -40.41 91.85 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.28 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 24' ' ' SER . 97.9 mt -95.73 -94.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.514 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.4 p 156.42 18.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.582 -0.735 . . . . 1.0 109.742 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -49.74 -50.23 68.47 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.893 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 40.5 Cg_exo -54.1 -45.15 43.14 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.59 1.527 . . . . 1.0 112.278 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.38 -43.2 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.0 110.021 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.87 -41.62 99.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.936 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.28 -41.03 98.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.295 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.91 -41.35 87.26 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.769 -0.373 . . . . 1.0 110.307 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.5 -43.42 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.603 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.44 -47.92 83.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.75 -43.01 99.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.43 . . . . 1.0 110.084 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -63.17 -42.9 99.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.89 -38.21 95.77 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.585 -0.606 . . . . 1.0 111.585 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.548 0.674 . . . . 1.0 110.382 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -62.13 -43.32 99.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.327 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 p -71.0 -34.27 71.19 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.558 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.8 m0 -60.16 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.055 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.95 -40.0 75.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.078 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.73 -41.84 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 118.875 -1.13 . . . . 1.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.57 -34.93 67.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 113.842 -1.526 . . . . 1.0 110.995 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 43' ' ' LEU . 1.6 mm? -83.22 -6.78 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.242 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -51.09 -42.23 60.5 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.05 -49.85 75.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 119.422 -0.911 . . . . 1.0 110.761 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.11 -41.05 95.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.116 0.484 . . . . 1.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -61.55 -42.78 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.61 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -63.23 -40.75 98.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.253 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.91 -40.73 96.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 118.026 -0.987 . . . . 1.0 110.686 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.322 -0.622 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.01 145.34 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.042 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.73 -40.43 95.31 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.764 0.316 . . . . 1.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.1 -3.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.804 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.41 -41.25 89.57 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.548 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 40.37 86.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.136 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 143.13 54.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.04 160.8 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 1.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.08 174.72 47.27 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -76.1 142.81 41.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.881 0.372 . . . . 1.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 40.66 73.96 0.79 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 1.0 110.869 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' THR . 50.8 Cg_exo -54.45 -39.0 89.71 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.584 2.189 . . . . 1.0 112.239 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -61.17 -41.34 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 1.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.6 -42.31 99.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.763 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 12' ' ' PRO . 88.5 m -121.51 128.44 52.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.085 0.469 . . . . 1.0 111.508 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -71.58 147.66 47.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.202 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.72 -34.51 78.04 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.95 0.881 . . . . 1.0 109.676 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.98 78.67 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 119.688 -1.244 . . . . 1.0 110.866 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.577 -0.367 . . . . 1.0 110.585 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.84 99.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.027 0.442 . . . . 1.0 110.765 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.77 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . 97.3 mt-10 -66.24 -41.01 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.009 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' GLU . 41.2 tp 32.3 75.79 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.215 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -73.77 128.9 36.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 1.0 111.917 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -74.75 -44.62 5.24 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.182 177.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 37.4 Cg_exo -58.1 -21.65 52.0 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 123.529 2.819 . . . . 1.0 113.621 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.81 -45.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.607 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.34 -42.08 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.179 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.98 -40.71 97.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.687 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.32 -40.49 89.95 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.2 -43.54 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.44 -47.15 87.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.454 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.97 -43.04 99.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 1.0 110.334 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 m -62.59 -41.93 99.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.577 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.72 -37.75 94.76 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.015 -0.612 . . . . 1.0 111.693 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.8 -42.33 98.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.304 0.552 . . . . 1.0 110.892 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.27 -41.26 97.0 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.59 -40.71 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 1.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.416 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -58.61 -30.7 67.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.007 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.91 -45.21 93.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 117.802 -1.559 . . . . 1.0 108.032 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -63.95 -17.57 63.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.196 -1.366 . . . . 1.0 110.942 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.8 mt -82.59 -6.93 59.62 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -56.89 -45.51 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.34 -49.8 76.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.175 -1.01 . . . . 1.0 110.636 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -66.91 -39.9 87.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.506 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -62.01 -40.62 96.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.383 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.079 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -93.74 111.54 23.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.568 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CG ' ' OXT' ' A' ' 50' ' ' PHE . 90.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 143.53 57.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.992 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.31 -36.29 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.21 146.73 52.21 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.32 -41.0 94.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.408 . . . . 1.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.32 117.45 33.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 1.0 109.927 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.14 -11.5 32.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.686 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.95 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.453 . . . . 1.0 110.706 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.33 -173.78 54.91 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.603 -0.999 . . . . 1.0 110.603 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.82 141.09 42.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.937 0.398 . . . . 1.0 110.725 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -143.46 155.94 60.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.3 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.95 -18.85 58.0 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.303 2.002 . . . . 1.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 m -60.75 -38.36 84.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.37 -43.43 98.84 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 121.041 -0.263 . . . . 1.0 110.663 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -83.97 166.0 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.644 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 t -66.86 137.22 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.307 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -97.45 109.43 22.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.14 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.45 144.39 29.27 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.265 -1.134 . . . . 1.0 110.265 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.59 152.81 29.21 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.467 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.76 -40.18 91.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.869 -0.419 . . . . 1.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 p -63.79 -38.91 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.74 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -65.64 -41.28 92.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.043 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.647 ' C ' ' H ' ' A' ' 25' ' ' ALA . 84.2 mt -62.37 -42.85 99.74 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.293 -0.563 . . . . 1.0 109.704 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -58.59 14.68 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.353 -0.839 . . . . 1.0 111.257 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.647 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -49.37 -47.17 77.63 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 50.7 Cg_exo -53.6 -40.36 79.51 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.016 1.811 . . . . 1.0 111.445 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.44 0.638 . . . . 1.0 109.901 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.32 -42.15 99.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.678 -1.146 . . . . 1.0 110.42 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.73 -42.68 95.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.183 -0.607 . . . . 1.0 111.554 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.8 -44.67 80.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 1.0 112.118 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.32 -41.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 119.673 -0.811 . . . . 1.0 110.322 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.72 -45.44 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.904 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' N ' HD22 ' A' ' 33' ' ' LEU . 1.5 mm? -63.4 -41.7 98.76 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 1.0 110.482 178.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.1 m -61.88 -42.9 99.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.566 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.68 94.62 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.985 -0.626 . . . . 1.0 111.598 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.05 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.534 0.667 . . . . 1.0 110.113 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.07 -42.96 99.79 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -70.2 -34.59 73.12 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.493 0.663 . . . . 1.0 110.96 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' LEU . 74.3 t-105 -57.57 -38.98 75.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 1.0 111.377 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.43 -42.15 81.85 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -63.77 -39.74 94.98 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.113 0.959 . . . . 1.0 110.928 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.82 -32.61 62.02 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.648 -1.615 . . . . 1.0 111.02 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' TRP . 14.5 tp -81.12 -5.97 58.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.658 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 m -53.91 -44.32 70.46 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.778 0.659 . . . . 1.0 112.778 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.55 -51.39 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 118.806 -1.158 . . . . 1.0 110.935 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' ASP . 90.6 m-85 -65.12 -40.64 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.947 0.403 . . . . 1.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.94 -41.28 97.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.62 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' PHE . 39.7 t0 -95.76 113.03 24.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.073 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.651 -179.56 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.4 142.29 58.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.726 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 45.7 33.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.137 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.49 153.29 33.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -112.92 137.03 51.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.3 -40.79 94.25 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.617 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.71 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.03 -45.55 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.72 164.23 29.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -61.87 -44.15 97.4 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.594 0.235 . . . . 1.0 110.943 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 46.18 71.67 1.49 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -62.21 145.52 96.19 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.684 2.256 . . . . 1.0 112.383 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -130.59 152.69 49.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.78 131.63 54.89 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.0 p -69.62 137.33 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 1.0 111.32 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.935 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -95.9 108.9 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.272 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -127.13 139.02 10.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.575 -0.61 . . . . 1.0 111.575 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 -10.75 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.778 0.323 . . . . 1.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' LEU . 96.6 mt-10 -63.48 -40.25 96.59 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.461 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.98 -40.61 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.899 0.381 . . . . 1.0 111.405 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -69.57 -37.49 77.01 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.157 0.799 . . . . 1.0 113.157 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' SER . 94.3 mt -125.21 169.17 12.51 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.483 0.182 . . . . 1.0 110.549 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 164.54 18.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.267 0.556 . . . . 1.0 111.002 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -50.71 -49.59 78.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.461 0.541 . . . . 1.0 112.461 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 51.5 Cg_exo -53.3 -44.4 49.24 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 121.94 1.76 . . . . 1.0 113.239 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' CG2' ' HG ' ' A' ' 24' ' ' SER . 26.9 m -71.24 -35.66 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.413 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.7 -41.06 98.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.381 . . . . 1.0 110.396 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.5 -40.9 98.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.97 -40.69 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.46 -43.71 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.177 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -61.06 -46.13 91.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.989 0.423 . . . . 1.0 110.712 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.27 -43.13 98.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.217 0.532 . . . . 1.0 110.425 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -61.71 -39.66 92.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.126 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.86 -40.7 99.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.165 -0.541 . . . . 1.0 111.806 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.66 -41.45 97.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.958 0.879 . . . . 1.0 111.1 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.26 -40.21 96.77 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.77 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -71.77 -35.63 70.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.269 0.557 . . . . 1.0 110.942 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 47.7 m0 -59.31 -33.14 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.718 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.27 -41.01 75.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.895 -0.722 . . . . 1.0 109.557 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -62.81 -46.38 88.24 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.653 -1.219 . . . . 1.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.97 -35.0 78.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.555 -1.657 . . . . 1.0 111.209 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' TRP . 94.6 mt -81.56 -6.5 59.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.224 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -56.97 -45.8 82.63 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.951 -0.468 . . . . 1.0 112.228 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.03 -49.7 76.89 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.604 -0.838 . . . . 1.0 110.846 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.05 -41.05 91.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.135 0.493 . . . . 1.0 111.339 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -62.04 -40.59 96.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.643 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.1 -40.77 96.94 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.238 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.698 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.087 -0.959 . . . . 1.0 110.725 -179.782 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.96 89.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -114.58 125.62 53.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.123 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.31 151.84 32.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.691 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' GLN . 84.9 t60 -65.37 -42.85 92.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.531 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 5' ' ' HIS . 67.8 tp60 56.73 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.368 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.75 153.59 33.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.397 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.0 159.92 42.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.654 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.27 -15.88 54.65 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.358 -0.697 . . . . 1.0 111.358 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 50.26 77.66 0.45 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.45 146.04 97.47 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.723 2.282 . . . . 1.0 111.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -136.51 145.58 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.686 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.71 -42.41 99.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -78.09 165.73 23.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.029 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -67.19 145.41 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.938 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -78.91 115.72 18.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.8 7.66 74.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.646 -0.982 . . . . 1.0 110.646 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.06 148.23 28.77 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.563 0.221 . . . . 1.0 110.505 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 55.3 mp0 -136.97 146.62 45.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.938 0.399 . . . . 1.0 110.595 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.9 m -65.53 -38.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 54.8 mp0 -62.73 -37.44 86.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.837 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 88.3 mt -105.44 127.21 52.87 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.312 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.5 t 155.14 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.534 0.683 . . . . 1.0 109.232 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.15 -50.85 61.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.929 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -53.44 -43.06 60.74 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.631 1.554 . . . . 1.0 112.139 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.24 -43.03 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.199 0.523 . . . . 1.0 109.867 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.08 -41.68 98.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.275 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.43 -42.99 95.71 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.92 -40.09 95.67 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.179 -0.675 . . . . 1.0 109.179 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.93 -44.85 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 119.14 -1.024 . . . . 1.0 110.432 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -59.17 -46.25 88.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.193 -0.603 . . . . 1.0 110.312 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.25 -40.69 97.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.259 0.552 . . . . 1.0 110.404 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 m -67.08 -38.24 85.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.76 0.791 . . . . 1.0 110.436 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.29 -38.5 95.96 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -42.45 98.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.631 0.715 . . . . 1.0 110.063 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -64.17 -41.34 97.16 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.242 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -71.5 -38.04 71.2 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.407 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.1 m0 -58.7 -36.33 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 1.0 112.246 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.79 -40.89 66.69 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.512 -0.875 . . . . 1.0 109.552 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.58 -44.15 96.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.025 0.917 . . . . 1.0 111.34 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -72.69 -35.66 67.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.947 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.64 -5.06 59.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 1.0 112.484 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.64 -44.9 81.75 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.789 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.24 -48.82 80.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.085 -1.046 . . . . 1.0 110.316 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.128 0.49 . . . . 1.0 111.011 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -62.25 -41.05 98.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.82 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.89 -40.92 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.422 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -94.92 110.86 22.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.625 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.434 ' OXT' ' CD2' ' A' ' 50' ' ' PHE . 89.1 t80 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.565 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 144.24 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.479 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 59.08 30.76 20.64 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.89 144.63 54.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.435 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -109.81 130.37 55.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.3 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -127.65 138.83 52.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.234 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.66 141.3 58.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.927 0.394 . . . . 1.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.04 135.46 60.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.057 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.16 12.62 80.57 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.365 -0.694 . . . . 1.0 111.365 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -121.74 128.88 52.26 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.554 -0.165 . . . . 1.0 110.554 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' NH1' ' OD2' ' A' ' 17' ' ' ASP . 8.8 mtp180 -142.96 147.75 42.71 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.164 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' THR . 33.1 Cg_endo -64.13 145.29 89.04 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 121.895 1.73 . . . . 1.0 111.456 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -69.62 -18.91 63.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.429 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.79 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.28 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' PRO . 70.7 p -131.31 159.69 37.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 1.0 110.965 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.5 p -158.03 161.85 38.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.311 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' OD2' ' NH1' ' A' ' 11' ' ' ARG . 77.0 m-20 -67.69 140.01 56.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.751 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.57 140.52 11.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 140.09 57.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.921 0.391 . . . . 1.0 110.379 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' LEU . 97.0 mt-10 -138.8 -2.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.498 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.08 -39.72 85.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.008 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.56 -43.9 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.807 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 24' ' ' SER . 87.6 mt -116.87 126.07 52.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.216 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.1 m 151.45 18.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.306 0.574 . . . . 1.0 109.748 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -46.67 -48.58 49.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.57 -178.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 52.6 Cg_exo -54.35 -40.83 81.09 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.352 1.368 . . . . 1.0 111.931 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.08 -41.99 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.423 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.376 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.42 -40.42 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.895 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -67.28 -41.09 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.6 -43.44 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.79 -46.41 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.155 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.46 -42.28 98.61 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.879 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.23 -36.57 83.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.376 -0.529 . . . . 1.0 110.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -65.48 -38.11 94.46 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.625 -0.798 . . . . 1.0 111.451 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.02 -42.03 98.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.601 0.7 . . . . 1.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -63.09 -43.77 97.6 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.569 -0.453 . . . . 1.0 110.457 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -70.68 -36.67 73.42 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.292 0.568 . . . . 1.0 111.32 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.0 m0 -58.64 -33.92 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 111.51 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.8 -41.83 78.43 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.859 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.62 -40.07 93.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.35 1.072 . . . . 1.0 110.441 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -75.7 -34.06 60.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 113.177 -1.828 . . . . 1.0 111.403 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 39' ' ' TRP . 12.9 tp -82.25 -6.09 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.204 1.001 . . . . 1.0 111.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -57.68 -45.6 85.4 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.067 -0.396 . . . . 1.0 111.559 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.12 -51.08 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.393 -0.923 . . . . 1.0 110.441 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 93.0 m-85 -67.92 -39.25 83.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 1.0 111.713 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE3' ' ND2' ' A' ' 48' ' ' ASN . 34.1 t90 -63.47 -39.75 95.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.685 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.622 ' ND2' ' CE3' ' A' ' 47' ' ' TRP . 9.9 m120 -101.31 14.1 33.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 50' ' ' PHE . 50.1 p-10 -64.8 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.554 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 91.6 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.231 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.495 1.603 0 CA-C-O 120.824 0.26 . . . . 1.0 112.247 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.76 -43.76 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -41.79 99.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.908 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.61 -41.61 98.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.496 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -66.38 -41.43 89.43 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.67 -43.7 93.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.036 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.107 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.14 -45.99 92.39 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 120.279 -0.568 . . . . 1.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -41.85 98.91 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.626 0.727 . . . . 1.0 110.674 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -67.51 -37.67 83.15 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.771 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.13 95.28 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.37 -42.21 98.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.371 0.586 . . . . 1.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.8 -42.71 98.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -70.83 -34.82 72.08 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.211 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -57.05 -38.81 73.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.29 -40.2 70.77 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.594 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -62.08 -41.14 97.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.898 0.856 . . . . 1.0 111.466 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.87 -32.43 65.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.944 -1.48 . . . . 1.0 111.024 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -82.96 -5.28 59.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 1.0 112.149 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -52.14 -43.92 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.94 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.88 -49.71 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.323 -0.951 . . . . 1.0 110.917 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.37 -40.45 89.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -62.4 -41.68 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.623 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.3 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.534 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo . . . . . 0 N--CA 1.498 1.756 0 CA-C-O 120.853 0.272 . . . . 1.0 111.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.89 -43.3 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.39 -41.71 98.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.801 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.08 -40.98 97.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.304 -0.558 . . . . 1.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.85 -41.2 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.0 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.51 -43.75 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.592 -0.443 . . . . 1.0 109.831 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.39 -46.49 89.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 1.0 110.845 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.52 -42.16 99.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 78.1 p -66.74 -38.1 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.504 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.29 97.28 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.199 -0.589 . . . . 1.0 110.81 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 88.7 mtm180 -63.39 -40.44 97.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.946 -0.702 . . . . 1.0 109.851 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.1 p -71.48 -31.85 67.59 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 122.343 1.068 . . . . 1.0 110.13 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.763 ' NE1' HD13 ' A' ' 43' ' ' LEU . 76.2 t-105 -61.21 -37.37 82.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.426 -1.261 . . . . 1.0 111.059 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.01 -37.81 77.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 119.413 -0.327 . . . . 1.0 110.137 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -64.04 -45.34 89.27 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 118.328 -1.349 . . . . 1.0 109.491 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -69.18 -33.1 72.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 113.289 -1.778 . . . . 1.0 111.132 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 ' NE1' ' A' ' 39' ' ' TRP . 13.0 tp -81.81 -7.78 59.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.281 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -50.75 -44.02 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.489 0.552 . . . . 1.0 112.489 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -60.24 -49.63 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.483 -0.887 . . . . 1.0 111.249 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -66.67 -40.42 88.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 1.0 110.865 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.836 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.58 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.496 1.658 0 N-CA-C 113.254 0.444 . . . . 1.0 113.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -71.54 -37.29 63.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.32 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.14 -41.47 99.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.863 0.363 . . . . 1.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.27 -41.56 99.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.744 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.08 -40.61 87.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.61 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.33 -41.9 92.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-O 121.087 0.47 . . . . 1.0 109.741 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 36' ' ' LEU . 90.6 t80 -62.68 -45.75 91.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.943 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.11 -42.41 99.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.8 m -64.18 -38.86 92.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.61 -38.37 95.6 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 120.771 -0.728 . . . . 1.0 111.405 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 32' ' ' TYR . 89.5 mt -61.9 -41.3 97.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 117.793 0.796 . . . . 1.0 110.392 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.234 -0.586 . . . . 1.0 110.788 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.6 p -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.421 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.5 m0 -60.07 -35.15 74.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.61 -39.74 77.56 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.312 -0.955 . . . . 1.0 109.589 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.53 -43.82 96.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.157 0.979 . . . . 1.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -72.9 -35.42 67.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.532 -1.667 . . . . 1.0 111.139 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.78 -5.42 59.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.242 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -52.1 -43.41 63.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.836 0.309 . . . . 1.0 111.836 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.38 -49.49 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.201 -1.0 . . . . 1.0 110.371 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.0 -44.86 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.139 0.495 . . . . 1.0 110.895 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -63.11 -41.25 99.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.746 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.612 -179.902 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo . . . . . 0 N--CA 1.495 1.613 0 CA-C-O 120.962 0.317 . . . . 1.0 111.951 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.6 -43.66 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.774 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.59 -40.53 97.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.447 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.012 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.48 -41.04 85.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.411 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.83 -44.03 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.801 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.36 -46.52 89.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.56 -43.89 97.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 1.0 110.288 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -65.04 -43.19 93.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.193 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.39 -34.6 90.4 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.85 -42.18 99.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.474 0.637 . . . . 1.0 109.828 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -63.13 -40.62 98.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.978 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -70.96 -34.04 71.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.035 0.445 . . . . 1.0 111.146 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.429 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -56.23 -42.63 77.59 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.509 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.71 -44.22 97.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.531 1.158 . . . . 1.0 110.326 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -67.7 -33.97 75.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 112.722 -2.035 . . . . 1.0 110.537 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.09 -4.48 56.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 p -51.57 -44.4 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.335 0.495 . . . . 1.0 112.335 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.15 -50.95 71.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.406 -0.917 . . . . 1.0 111.315 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.46 -40.56 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 1.0 110.77 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -61.0 -44.2 97.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.264 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.139 -179.596 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 CA-C-O 120.637 0.182 . . . . 1.0 112.165 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.08 -43.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.5 99.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.713 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.15 -40.37 97.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.39 -39.52 89.1 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.245 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.31 -44.4 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.93 -0.396 . . . . 1.0 109.93 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.97 -47.77 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.07 99.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 1.0 110.881 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.2 p -68.68 -37.75 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.221 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.557 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.66 -41.82 88.76 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.538 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.32 -42.12 98.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.517 0.659 . . . . 1.0 110.526 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -64.23 -41.88 96.82 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.382 -0.527 . . . . 1.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -72.89 -36.57 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.809 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.4 m0 -59.9 -37.79 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.82 -44.28 94.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.558 -0.857 . . . . 1.0 110.414 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -64.34 -40.24 95.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.88 -33.3 30.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.498 -0.774 . . . . 1.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' TRP . 45.8 tp -79.91 -26.33 40.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -59.34 -45.05 92.46 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.392 -0.817 . . . . 1.0 111.571 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.13 -46.64 88.13 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.782 -0.767 . . . . 1.0 111.7 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -62.05 -43.18 99.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.446 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -73.49 -43.83 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.799 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.333 -0.152 0 CA-C-O 120.904 0.383 . . . . 1.0 110.178 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 N--CA 1.498 1.762 0 N-CA-C 113.595 0.575 . . . . 1.0 113.595 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.58 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.578 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.05 -41.81 99.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.823 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.59 -41.43 96.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.526 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.26 -42.08 93.61 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.919 -0.712 . . . . 1.0 109.652 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.05 97.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.88 -46.18 91.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.054 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.13 -41.26 99.28 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.958 0.408 . . . . 1.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.5 p -67.98 -34.94 77.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.36 -38.39 91.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.483 -1.047 . . . . 1.0 110.483 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.64 -42.55 99.06 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 122.092 -0.652 . . . . 1.0 110.364 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.44 -41.45 98.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -71.32 -36.17 71.48 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.025 0.441 . . . . 1.0 111.537 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.4 m0 -58.9 -37.23 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.978 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 -41.08 83.39 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.975 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -64.45 -39.32 93.6 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.069 -1.052 . . . . 1.0 110.992 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.04 -36.57 64.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.152 -1.385 . . . . 1.0 111.519 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.97 -5.37 59.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.6 -0.727 . . . . 1.0 112.338 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.3 m -51.56 -43.17 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.105 -0.372 . . . . 1.0 111.625 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.41 -49.29 78.15 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.891 -1.124 . . . . 1.0 110.295 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 111.316 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.98 -40.82 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.998 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.42 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.494 1.517 0 CA-C-O 120.748 0.228 . . . . 1.0 111.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.44 -43.34 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.87 -41.54 97.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.66 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.32 -41.52 98.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.334 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.198 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.98 -43.24 97.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 C-N-CA 120.599 -0.441 . . . . 1.0 109.813 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.05 -45.12 94.94 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 122.59 1.186 . . . . 1.0 109.462 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 87.3 mt -62.88 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 119.014 -1.074 . . . . 1.0 110.668 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -66.73 -39.41 87.95 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 114.912 -1.04 . . . . 1.0 110.71 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.12 -38.36 95.86 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.26 0.53 . . . . 1.0 110.009 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.89 -41.15 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.432 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 t -70.38 -37.44 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.902 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 40.6 m0 -58.33 -33.87 69.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.895 -0.593 . . . . 1.0 112.156 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.89 -40.56 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.166 -0.614 . . . . 1.0 110.103 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.72 -44.31 96.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.351 1.072 . . . . 1.0 110.288 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -71.88 -33.5 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 113.13 -1.85 . . . . 1.0 111.254 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.2 tp -81.9 -6.87 59.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.132 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -56.68 -45.28 81.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.04 -49.59 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.113 -1.035 . . . . 1.0 110.802 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.54 -40.05 88.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.046 0.451 . . . . 1.0 111.032 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -63.41 -41.81 98.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.892 -0.595 . . . . 1.0 111.534 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.467 179.854 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo . . . . . 0 N--CA 1.496 1.645 0 CA-C-O 120.737 0.224 . . . . 1.0 111.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.6 -42.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.5 -41.18 96.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.929 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.07 -40.95 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.88 -40.76 87.91 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.639 -0.424 . . . . 1.0 109.86 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.76 -44.45 98.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.6 t80 -60.35 -46.17 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.075 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.74 -47.62 84.41 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.394 2.045 . . . . 1.0 109.036 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -61.63 -35.86 79.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 113.973 -1.467 . . . . 1.0 110.072 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.79 -39.19 97.67 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.5 mt -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.421 0.61 . . . . 1.0 110.237 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -63.5 -43.46 97.16 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.375 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -70.95 -34.71 71.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 43.4 m0 -60.43 -35.35 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.599 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.34 -42.63 78.02 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.893 -0.723 . . . . 1.0 109.308 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.34 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.12 0.962 . . . . 1.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -72.72 -35.13 67.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 113.502 -1.681 . . . . 1.0 111.465 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' TRP . 97.8 mt -83.41 -5.58 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.879 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -51.57 -43.41 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.73 -51.93 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.225 -0.99 . . . . 1.0 110.264 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.04 -44.62 96.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 1.0 110.75 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -63.35 -40.62 97.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.402 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.378 179.671 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo . . . . . 0 N--CA 1.497 1.703 0 N-CA-C 113.232 0.435 . . . . 1.0 113.232 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 m -72.09 -37.76 61.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 119.867 -0.733 . . . . 1.0 110.643 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.2 -39.36 94.4 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.319 0.387 . . . . 1.0 111.712 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.92 -43.74 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.647 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -61.43 -44.02 97.85 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.079 -0.649 . . . . 1.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.99 -42.92 97.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.507 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -68.01 -36.78 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.182 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 -39.46 95.97 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.04 -42.36 99.1 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.566 0.683 . . . . 1.0 110.564 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.71 -42.05 98.01 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.1 p -71.53 -33.49 69.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 1.0 110.446 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.601 ' NE1' HD13 ' A' ' 43' ' ' LEU . 67.3 t-105 -60.82 -38.86 86.87 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.397 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.12 -36.25 74.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.123 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.46 -38.29 90.59 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.182 -1.007 . . . . 1.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -80.26 -16.29 55.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 114.911 -1.041 . . . . 1.0 109.541 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' NE1' ' A' ' 39' ' ' TRP . 12.5 tp -83.04 -6.59 59.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.546 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.28 -43.98 79.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.051 -0.5 . . . . 1.0 111.927 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.79 -51.25 70.11 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.233 0.924 . . . . 1.0 110.87 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.72 -39.72 88.12 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.131 0.491 . . . . 1.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.23 -43.36 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.586 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.72 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 120.695 0.206 . . . . 1.0 112.168 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.61 -42.79 87.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.34 -41.59 98.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.451 -0.795 . . . . 1.0 111.287 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.71 -41.84 98.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.963 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.77 -39.07 84.13 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.545 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.85 -43.39 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.014 -0.675 . . . . 1.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.27 -46.77 88.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.787 -0.365 . . . . 1.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 33' ' ' LEU . 89.1 mt -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.077 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -66.03 -35.84 81.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.575 -0.738 . . . . 1.0 109.666 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.42 92.19 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.468 -1.053 . . . . 1.0 110.468 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.9 -43.42 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -62.66 -42.06 99.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.678 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -70.26 -35.43 73.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.191 0.519 . . . . 1.0 110.386 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 43' ' ' LEU . 63.7 t90 -60.62 -37.4 81.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.478 -0.783 . . . . 1.0 111.646 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.68 -32.44 70.49 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -61.94 -44.41 96.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.907 1.23 . . . . 1.0 108.347 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.23 -1.804 . . . . 1.0 110.027 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 39' ' ' TRP . 14.7 tp -81.53 -8.75 59.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.369 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 t -57.36 -45.93 83.89 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.44 0.533 . . . . 1.0 112.44 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.07 -48.2 81.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 118.367 -1.333 . . . . 1.0 110.85 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -62.34 -44.17 97.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.125 0.488 . . . . 1.0 110.5 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -61.03 -41.92 97.49 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.512 -0.767 . . . . 1.0 112.283 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.538 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 N--CA 1.5 1.859 0 N-CA-C 113.838 0.669 . . . . 1.0 113.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.76 -45.12 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.429 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -41.7 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.837 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -65.23 -40.88 94.64 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.27 -38.94 89.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.385 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.75 -43.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.403 -0.519 . . . . 1.0 111.191 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -61.73 -45.52 93.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.112 -0.635 . . . . 1.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.5 -41.83 98.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.862 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -62.58 -41.98 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.847 0.356 . . . . 1.0 110.483 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.77 94.52 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 121.247 -0.502 . . . . 1.0 111.984 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.0 -43.83 98.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.612 0.706 . . . . 1.0 111.044 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -64.12 -41.05 97.39 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 119.775 -0.77 . . . . 1.0 110.529 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 m -71.22 -36.81 71.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.595 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.703 ' CZ2' HD22 ' A' ' 43' ' ' LEU . 20.6 t90 -60.91 -38.67 86.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.187 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.51 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.221 -0.592 . . . . 1.0 110.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.32 -37.35 87.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.696 0.76 . . . . 1.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -80.08 -32.48 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.251 -1.34 . . . . 1.0 111.329 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' CZ2' ' A' ' 39' ' ' TRP . 39.5 tp -81.49 -13.44 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.184 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -58.3 -46.88 85.3 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.33 -0.856 . . . . 1.0 112.729 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.631 ' NH2' ' CZ ' ' A' ' 46' ' ' PHE . 74.0 ttp85 -59.81 -46.71 88.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.311 -0.956 . . . . 1.0 111.061 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.631 ' CZ ' ' NH2' ' A' ' 45' ' ' ARG . 87.6 m-85 -66.33 -39.28 89.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.492 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -66.1 -40.87 91.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.779 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.482 179.68 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo . . . . . 0 N--CA 1.49 1.284 0 N-CA-C 112.448 0.134 . . . . 1.0 112.448 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.13 -43.34 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.06 -41.9 98.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.033 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -64.34 -41.27 96.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.687 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.75 -41.12 92.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.46 -43.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -60.74 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.609 -0.437 . . . . 1.0 110.701 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.0 -42.62 99.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.218 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -63.23 -32.6 74.04 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 39' ' ' TRP . . . -62.69 -36.2 92.95 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.07 -42.28 99.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.192 0.996 . . . . 1.0 110.667 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.92 -43.26 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.252 -0.579 . . . . 1.0 110.909 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 p -70.49 -36.22 73.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.366 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 47.3 m0 -60.73 -34.11 73.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.999 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.88 -40.91 73.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.123 -0.631 . . . . 1.0 110.183 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.68 -42.97 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.608 1.194 . . . . 1.0 110.828 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.62 -33.88 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 112.94 -1.936 . . . . 1.0 110.696 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.4 tp -81.76 -7.88 59.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.174 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -57.03 -45.57 83.03 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.903 -0.498 . . . . 1.0 112.149 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -60.36 -49.59 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 118.692 -1.203 . . . . 1.0 110.989 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.68 -39.97 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 1.0 111.318 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -62.4 -40.96 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.214 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 1.0 110.474 179.441 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.505 2.153 0 N-CA-C 113.958 0.714 . . . . 1.0 113.958 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.15 -46.37 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-O 123.589 1.662 . . . . 1.0 108.317 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.6 -40.7 88.35 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.182 -1.407 . . . . 1.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.02 -41.51 99.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.748 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.16 -40.28 94.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.398 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.984 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.0 t80 -61.0 -46.43 90.79 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.38 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.15 -41.71 99.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.6 p -66.57 -35.13 79.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.634 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.91 -36.25 92.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.7 mt -61.63 -41.36 97.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.701 0.751 . . . . 1.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.61 -39.75 95.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.995 -0.682 . . . . 1.0 110.123 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 m -70.82 -37.16 73.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.551 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LEU . 56.8 m95 -63.24 -34.84 78.54 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.484 0.55 . . . . 1.0 112.484 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.22 -44.98 84.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.05 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.079 0.942 . . . . 1.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.53 -34.68 70.26 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 113.663 -1.608 . . . . 1.0 111.719 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 39' ' ' TRP . 33.3 tp -82.14 -7.95 59.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.181 -0.918 . . . . 1.0 110.776 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -52.84 -42.33 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.097 0.777 . . . . 1.0 113.097 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.87 -49.18 78.73 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.109 -1.036 . . . . 1.0 111.578 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -67.53 -38.36 84.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 1.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -64.26 -41.33 96.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.534 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.499 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo . . . . . 0 N--CA 1.485 0.975 0 N-CA-C 112.645 0.21 . . . . 1.0 112.645 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.95 -41.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 121.54 0.686 . . . . 1.0 109.657 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.87 -42.15 99.65 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.853 -1.067 . . . . 1.0 111.297 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -65.43 -40.44 93.32 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.26 0.466 . . . . 1.0 112.26 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.06 -42.17 85.18 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.781 -0.368 . . . . 1.0 111.409 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 32' ' ' TYR . 40.2 pt -68.07 -41.71 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.028 -0.669 . . . . 1.0 109.8 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' HG13 ' A' ' 31' ' ' ILE . 91.5 t80 -59.78 -47.19 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 1.0 110.447 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.448 . . . . 1.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 t -62.97 -42.42 99.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.72 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.64 -37.96 95.53 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.893 -0.67 . . . . 1.0 111.537 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.46 -42.33 98.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.748 0.774 . . . . 1.0 110.195 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.23 -43.23 99.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.248 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -70.08 -35.65 74.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.122 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 41.1 m0 -58.89 -34.41 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.801 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.03 -42.01 75.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.219 -0.593 . . . . 1.0 109.932 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.294 1.045 . . . . 1.0 110.404 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -71.83 -34.11 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.365 -1.743 . . . . 1.0 110.938 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.6 tp -81.88 -8.09 59.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.926 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -51.43 -42.77 61.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -60.5 -50.14 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.123 -1.031 . . . . 1.0 110.871 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.96 -39.37 87.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.109 0.48 . . . . 1.0 110.781 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -62.16 -40.79 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.46 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.698 0.207 . . . . 1.0 112.278 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.38 -43.2 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.0 110.021 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.87 -41.62 99.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.936 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.28 -41.03 98.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.295 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.91 -41.35 87.26 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.769 -0.373 . . . . 1.0 110.307 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.5 -43.42 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.603 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.44 -47.92 83.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.75 -43.01 99.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.43 . . . . 1.0 110.084 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -63.17 -42.9 99.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.89 -38.21 95.77 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.585 -0.606 . . . . 1.0 111.585 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.548 0.674 . . . . 1.0 110.382 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -62.13 -43.32 99.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.327 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 p -71.0 -34.27 71.19 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.558 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.8 m0 -60.16 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.055 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.95 -40.0 75.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.078 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.73 -41.84 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 118.875 -1.13 . . . . 1.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.57 -34.93 67.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 113.842 -1.526 . . . . 1.0 110.995 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.22 -6.78 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.242 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -51.09 -42.23 60.5 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.05 -49.85 75.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 119.422 -0.911 . . . . 1.0 110.761 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.11 -41.05 95.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.116 0.484 . . . . 1.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -61.55 -42.78 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.61 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.253 179.641 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.496 1.667 0 N-CA-C 113.621 0.585 . . . . 1.0 113.621 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.81 -45.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.607 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.34 -42.08 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.179 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.98 -40.71 97.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.687 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.32 -40.49 89.95 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.2 -43.54 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.44 -47.15 87.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.454 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.97 -43.04 99.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 1.0 110.334 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 m -62.59 -41.93 99.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.577 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.72 -37.75 94.76 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.015 -0.612 . . . . 1.0 111.693 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.8 -42.33 98.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.304 0.552 . . . . 1.0 110.892 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.27 -41.26 97.0 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.59 -40.71 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 1.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.549 ' NE1' HD21 ' A' ' 43' ' ' LEU . 52.4 t-105 -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.416 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 43' ' ' LEU . 65.6 tttm -58.61 -30.7 67.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.007 -178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.91 -45.21 93.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 117.802 -1.559 . . . . 1.0 108.032 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -63.95 -17.57 63.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.196 -1.366 . . . . 1.0 110.942 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.549 HD21 ' NE1' ' A' ' 39' ' ' TRP . 91.8 mt -82.59 -6.93 59.62 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -56.89 -45.51 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.34 -49.8 76.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.175 -1.01 . . . . 1.0 110.636 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -66.91 -39.9 87.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.506 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -62.01 -40.62 96.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.383 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.079 179.516 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.984 0.327 . . . . 1.0 111.445 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.44 0.638 . . . . 1.0 109.901 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.32 -42.15 99.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.678 -1.146 . . . . 1.0 110.42 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.73 -42.68 95.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.183 -0.607 . . . . 1.0 111.554 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.8 -44.67 80.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 1.0 112.118 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.32 -41.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 119.673 -0.811 . . . . 1.0 110.322 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.72 -45.44 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.904 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.4 -41.7 98.76 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 1.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.1 m -61.88 -42.9 99.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.566 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.68 94.62 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.985 -0.626 . . . . 1.0 111.598 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.05 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.534 0.667 . . . . 1.0 110.113 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.07 -42.96 99.79 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -70.2 -34.59 73.12 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.493 0.663 . . . . 1.0 110.96 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.724 ' NE1' HD13 ' A' ' 43' ' ' LEU . 74.3 t-105 -57.57 -38.98 75.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 1.0 111.377 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.43 -42.15 81.85 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -63.77 -39.74 94.98 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.113 0.959 . . . . 1.0 110.928 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.82 -32.61 62.02 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.648 -1.615 . . . . 1.0 111.02 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.724 HD13 ' NE1' ' A' ' 39' ' ' TRP . 14.5 tp -81.12 -5.97 58.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.658 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 m -53.91 -44.32 70.46 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.778 0.659 . . . . 1.0 112.778 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.55 -51.39 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 118.806 -1.158 . . . . 1.0 110.935 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -65.12 -40.64 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.947 0.403 . . . . 1.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.94 -41.28 97.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.62 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 C--N 1.331 -0.22 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.245 179.815 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.495 1.605 0 N-CA-C 113.239 0.438 . . . . 1.0 113.239 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -71.24 -35.66 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.413 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.7 -41.06 98.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.381 . . . . 1.0 110.396 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.5 -40.9 98.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.97 -40.69 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.46 -43.71 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.177 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 89.4 t80 -61.06 -46.13 91.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.989 0.423 . . . . 1.0 110.712 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.27 -43.13 98.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.217 0.532 . . . . 1.0 110.425 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -61.71 -39.66 92.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.126 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.86 -40.7 99.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.165 -0.541 . . . . 1.0 111.806 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 9.9 mp -61.66 -41.45 97.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.958 0.879 . . . . 1.0 111.1 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.26 -40.21 96.77 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.77 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -71.77 -35.63 70.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.269 0.557 . . . . 1.0 110.942 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 47.7 m0 -59.31 -33.14 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.718 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.27 -41.01 75.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.895 -0.722 . . . . 1.0 109.557 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -62.81 -46.38 88.24 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.653 -1.219 . . . . 1.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.97 -35.0 78.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.555 -1.657 . . . . 1.0 111.209 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' TRP . 94.6 mt -81.56 -6.5 59.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.224 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -56.97 -45.8 82.63 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.951 -0.468 . . . . 1.0 112.228 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.03 -49.7 76.89 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.604 -0.838 . . . . 1.0 110.846 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.05 -41.05 91.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.135 0.493 . . . . 1.0 111.339 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -62.04 -40.59 96.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.643 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 C--O 1.236 0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.238 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.788 0.245 . . . . 1.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.24 -43.03 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.199 0.523 . . . . 1.0 109.867 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.08 -41.68 98.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.275 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' HD13 ' A' ' 33' ' ' LEU . 99.6 mm-40 -64.43 -42.99 95.71 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.806 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.92 -40.09 95.67 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.179 -0.675 . . . . 1.0 109.179 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.93 -44.85 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 119.14 -1.024 . . . . 1.0 110.432 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -59.17 -46.25 88.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.193 -0.603 . . . . 1.0 110.312 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 29' ' ' GLN . 8.2 mp -62.25 -40.69 97.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.259 0.552 . . . . 1.0 110.404 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 m -67.08 -38.24 85.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.76 0.791 . . . . 1.0 110.436 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.29 -38.5 95.96 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -42.45 98.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.631 0.715 . . . . 1.0 110.063 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -64.17 -41.34 97.16 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.242 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -71.5 -38.04 71.2 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.407 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.1 m0 -58.7 -36.33 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 1.0 112.246 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.79 -40.89 66.69 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.512 -0.875 . . . . 1.0 109.552 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.58 -44.15 96.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.025 0.917 . . . . 1.0 111.34 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -72.69 -35.66 67.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.947 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.64 -5.06 59.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 1.0 112.484 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.64 -44.9 81.75 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.789 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.24 -48.82 80.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.085 -1.046 . . . . 1.0 110.316 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.128 0.49 . . . . 1.0 111.011 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -62.25 -41.05 98.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.82 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.422 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.494 1.53 0 CA-C-O 120.658 0.191 . . . . 1.0 111.931 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.08 -41.99 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.423 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.376 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.42 -40.42 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.895 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -67.28 -41.09 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.6 -43.44 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.79 -46.41 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.155 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.46 -42.28 98.61 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.879 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.23 -36.57 83.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.376 -0.529 . . . . 1.0 110.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -65.48 -38.11 94.46 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.625 -0.798 . . . . 1.0 111.451 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.02 -42.03 98.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.601 0.7 . . . . 1.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -63.09 -43.77 97.6 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.569 -0.453 . . . . 1.0 110.457 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -70.68 -36.67 73.42 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.292 0.568 . . . . 1.0 111.32 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.0 m0 -58.64 -33.92 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 111.51 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.8 -41.83 78.43 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.859 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.62 -40.07 93.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.35 1.072 . . . . 1.0 110.441 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -75.7 -34.06 60.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 113.177 -1.828 . . . . 1.0 111.403 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' TRP . 12.9 tp -82.25 -6.09 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.204 1.001 . . . . 1.0 111.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -57.68 -45.6 85.4 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.067 -0.396 . . . . 1.0 111.559 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.12 -51.08 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.393 -0.923 . . . . 1.0 110.441 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -67.92 -39.25 83.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 1.0 111.713 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.528 ' CZ3' ' ND2' ' A' ' 48' ' ' ASN . 34.1 t90 -63.47 -39.75 95.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.685 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.528 ' ND2' ' CZ3' ' A' ' 47' ' ' TRP . 96.9 m-20 . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.93 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.91 89.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -114.4 126.62 55.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.52 151.7 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -114.0 142.16 46.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -64.43 -40.1 95.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.28 151.37 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.17 -45.05 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.85 178.36 48.43 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.24 149.13 51.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.697 0.284 . . . . 1.0 110.505 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -50.1 168.31 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.137 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' OG1' ' A' ' 15' ' ' THR . 22.4 Cg_exo -61.03 144.57 99.52 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.672 1.581 . . . . 1.0 112.126 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -61.85 -33.29 73.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.039 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.2 -41.84 98.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 12' ' ' PRO . 50.3 p -65.32 -34.01 77.33 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.48 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.5 146.46 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.229 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.66 109.48 21.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.713 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.89 -39.35 96.47 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 144.53 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 1.0 110.706 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.47 -39.65 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.21 159.23 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.24 25.57 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.779 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 24' ' ' SER . 90.0 mt -63.19 -42.45 99.34 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.407 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 2.2 m 153.79 18.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.783 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.32 -50.65 63.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.94 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 41.2 Cg_exo -54.06 -44.99 44.37 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.632 1.555 . . . . 1.0 112.247 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.76 -43.76 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -41.79 99.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.908 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.61 -41.61 98.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.496 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -66.38 -41.43 89.43 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.67 -43.7 93.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.036 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.107 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.14 -45.99 92.39 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 120.279 -0.568 . . . . 1.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -41.85 98.91 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.626 0.727 . . . . 1.0 110.674 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -67.51 -37.67 83.15 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.771 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.13 95.28 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.37 -42.21 98.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.371 0.586 . . . . 1.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.8 -42.71 98.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -70.83 -34.82 72.08 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.211 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -57.05 -38.81 73.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.29 -40.2 70.77 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.594 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -62.08 -41.14 97.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.898 0.856 . . . . 1.0 111.466 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.87 -32.43 65.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.944 -1.48 . . . . 1.0 111.024 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -82.96 -5.28 59.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 1.0 112.149 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -52.14 -43.92 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.94 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.88 -49.71 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.323 -0.951 . . . . 1.0 110.917 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.37 -40.45 89.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -62.4 -41.68 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.623 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.48 -40.84 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -94.87 110.86 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.565 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' H1 ' ' HB1' ' A' ' 7' ' ' ALA . 66.7 mtt . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.03 67.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.91 -34.54 78.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.055 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.75 136.36 54.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.17 0.51 . . . . 1.0 111.005 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -66.68 -40.51 88.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.822 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -63.23 -39.79 95.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.675 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.479 ' HB1' ' H1 ' ' A' ' 1' ' ' MET . . . -62.76 -39.35 93.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 1.0 110.372 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 1' ' ' MET . 74.9 t -63.12 -45.76 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.405 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.21 -169.78 53.08 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.46 150.08 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 1.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -125.48 82.16 63.43 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.427 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -61.53 144.94 98.17 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.426 2.084 . . . . 1.0 111.919 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -72.13 147.06 47.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.673 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.2 tp -110.63 126.04 54.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.752 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.9 p -111.56 1.29 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.778 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p -61.33 -32.64 72.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.432 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -91.21 2.08 56.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.078 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 161.45 52.73 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.16 -1.176 . . . . 1.0 110.16 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.57 149.09 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 1.0 111.355 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.77 -36.84 83.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.73 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.8 t -120.36 132.61 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.002 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.11 -41.59 94.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.76 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.29 119.54 36.67 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.97 0.414 . . . . 1.0 111.458 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.436 ' H ' ' HD2' ' A' ' 26' ' ' PRO . 17.5 m -146.33 -84.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.149 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.611 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -50.26 -49.68 74.94 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 1.0 112.062 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.4 Cg_exo -53.87 -42.65 64.82 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.748 1.632 . . . . 1.0 111.829 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.89 -43.3 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.39 -41.71 98.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.801 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.08 -40.98 97.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.304 -0.558 . . . . 1.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.85 -41.2 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.0 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.51 -43.75 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.592 -0.443 . . . . 1.0 109.831 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.39 -46.49 89.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 1.0 110.845 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.52 -42.16 99.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 78.1 p -66.74 -38.1 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.504 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.29 97.28 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.199 -0.589 . . . . 1.0 110.81 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 88.7 mtm180 -63.39 -40.44 97.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.946 -0.702 . . . . 1.0 109.851 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.1 p -71.48 -31.85 67.59 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 122.343 1.068 . . . . 1.0 110.13 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.763 ' NE1' HD13 ' A' ' 43' ' ' LEU . 76.2 t-105 -61.21 -37.37 82.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.426 -1.261 . . . . 1.0 111.059 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.01 -37.81 77.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 119.413 -0.327 . . . . 1.0 110.137 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -64.04 -45.34 89.27 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 118.328 -1.349 . . . . 1.0 109.491 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -69.18 -33.1 72.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 113.289 -1.778 . . . . 1.0 111.132 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 ' NE1' ' A' ' 39' ' ' TRP . 13.0 tp -81.81 -7.78 59.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.281 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -50.75 -44.02 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.489 0.552 . . . . 1.0 112.489 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -60.24 -49.63 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.483 -0.887 . . . . 1.0 111.249 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -66.67 -40.42 88.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 1.0 110.865 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.836 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.14 -41.16 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.95 112.13 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.654 -179.727 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.32 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.469 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.97 -40.17 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.631 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.53 141.68 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.517 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -66.28 -40.8 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.401 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -141.06 156.06 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.18 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.389 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.89 135.66 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.26 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.65 169.58 47.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -62.56 -43.0 99.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 1.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.609 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 1.7 ttt180 -162.02 -46.25 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.274 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.609 ' CD ' ' H ' ' A' ' 11' ' ' ARG . 22.8 Cg_exo -62.18 146.56 95.96 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.27 1.98 . . . . 1.0 112.027 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -65.26 147.29 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.613 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.8 -41.73 99.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.2 158.54 41.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.72 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 p -155.11 163.05 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.467 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.48 140.73 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.442 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.05 169.05 41.18 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 141.85 56.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 1.0 110.636 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -138.74 147.51 42.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.415 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.77 159.61 42.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.757 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -134.58 24.41 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' SER . 54.2 tp -63.05 -42.78 99.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.494 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.9 m 156.41 19.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.968 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -50.0 -49.45 74.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.041 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 41.2 Cg_exo -54.33 -47.11 28.69 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.923 1.749 . . . . 1.0 113.254 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -71.54 -37.29 63.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.32 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.14 -41.47 99.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.863 0.363 . . . . 1.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.27 -41.56 99.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.744 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.08 -40.61 87.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.61 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.33 -41.9 92.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-O 121.087 0.47 . . . . 1.0 109.741 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 36' ' ' LEU . 90.6 t80 -62.68 -45.75 91.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.943 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.11 -42.41 99.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.8 m -64.18 -38.86 92.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.61 -38.37 95.6 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 120.771 -0.728 . . . . 1.0 111.405 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 32' ' ' TYR . 89.5 mt -61.9 -41.3 97.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 117.793 0.796 . . . . 1.0 110.392 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.234 -0.586 . . . . 1.0 110.788 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.6 p -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.421 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.5 m0 -60.07 -35.15 74.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.61 -39.74 77.56 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.312 -0.955 . . . . 1.0 109.589 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.53 -43.82 96.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.157 0.979 . . . . 1.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -72.9 -35.42 67.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.532 -1.667 . . . . 1.0 111.139 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.78 -5.42 59.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.242 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -52.1 -43.41 63.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.836 0.309 . . . . 1.0 111.836 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.38 -49.49 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.201 -1.0 . . . . 1.0 110.371 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.0 -44.86 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.139 0.495 . . . . 1.0 110.895 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -63.11 -41.25 99.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.746 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.45 -40.76 98.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -90.15 110.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.676 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.581 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.21 89.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.241 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.02 136.1 57.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.75 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -117.04 133.69 55.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -95.28 133.06 39.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.155 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.02 86.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.1 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.1 131.53 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.121 0.486 . . . . 1.0 111.108 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.32 -178.09 45.71 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -128.68 149.07 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 46.57 72.54 1.22 Allowed Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.909 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -62.0 143.66 95.42 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.658 2.239 . . . . 1.0 111.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -76.82 162.17 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.831 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.42 131.51 54.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.291 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.3 p -67.35 -33.03 74.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.715 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -62.19 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.666 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -95.98 109.44 21.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 1.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.83 172.67 44.8 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.4 144.47 57.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.227 0.537 . . . . 1.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.65 -41.21 92.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 p -136.14 138.92 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.327 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.76 -40.57 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.623 -0.717 . . . . 1.0 112.294 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 24' ' ' SER . 87.9 mt -114.94 128.65 56.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER 156.05 19.58 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.65 179.354 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -48.65 -49.68 64.03 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.98 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.608 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 34.4 Cg_exo -55.2 -42.78 65.36 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.561 1.507 . . . . 1.0 111.951 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.6 -43.66 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.774 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.59 -40.53 97.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.447 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.012 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.48 -41.04 85.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.411 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.83 -44.03 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.801 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.36 -46.52 89.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.56 -43.89 97.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 1.0 110.288 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -65.04 -43.19 93.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.193 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.39 -34.6 90.4 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.85 -42.18 99.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.474 0.637 . . . . 1.0 109.828 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -63.13 -40.62 98.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.978 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -70.96 -34.04 71.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.035 0.445 . . . . 1.0 111.146 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.429 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -56.23 -42.63 77.59 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.509 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.71 -44.22 97.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.531 1.158 . . . . 1.0 110.326 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -67.7 -33.97 75.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 112.722 -2.035 . . . . 1.0 110.537 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.09 -4.48 56.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 p -51.57 -44.4 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.335 0.495 . . . . 1.0 112.335 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.15 -50.95 71.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.406 -0.917 . . . . 1.0 111.315 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.46 -40.56 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 1.0 110.77 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -61.0 -44.2 97.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.264 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 50' ' ' PHE . 79.4 m-20 -63.37 -41.56 98.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.139 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.16 -18.25 61.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.449 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 91.2 m-85 . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.809 -1.091 . . . . 1.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.94 152.46 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.037 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 80.1 tt0 -60.98 143.9 54.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.566 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 3' ' ' GLU . . . 79.87 -30.39 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.69 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -85.56 -12.08 52.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -64.28 -39.34 93.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.619 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' HB1' ' CD2' ' A' ' 10' ' ' PHE . . . -148.37 149.17 31.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.38 132.64 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.69 4.75 82.43 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD2' ' HB1' ' A' ' 7' ' ' ALA . 97.1 m-85 -103.85 8.39 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 1.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -134.29 77.28 60.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.532 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -60.39 146.14 97.27 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.662 2.241 . . . . 1.0 112.673 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -60.43 -39.89 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -103.13 132.05 49.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.0 m -63.56 -44.52 93.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -155.55 163.09 40.44 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.758 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.2 p-10 -65.78 -31.54 72.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.864 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -160.84 170.07 36.64 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 144.02 57.26 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.407 0.146 . . . . 1.0 110.668 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' LEU . 55.1 mp0 -65.25 -37.94 88.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 1.0 110.605 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.73 -45.22 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.876 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.07 -37.7 86.45 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.64 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 25' ' ' ALA . 90.4 mt -106.34 127.18 53.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.799 0.333 . . . . 1.0 110.707 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -58.14 24.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.001 -0.545 . . . . 1.0 112.457 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -49.92 -48.08 78.96 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 112.297 0.48 . . . . 1.0 112.297 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.8 Cg_exo -52.88 -40.93 73.83 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.827 1.684 . . . . 1.0 112.165 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.08 -43.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.5 99.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.713 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.15 -40.37 97.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.39 -39.52 89.1 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.245 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.31 -44.4 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.93 -0.396 . . . . 1.0 109.93 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.97 -47.77 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.07 99.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 1.0 110.881 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.2 p -68.68 -37.75 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.221 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.557 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.66 -41.82 88.76 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.538 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.32 -42.12 98.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.517 0.659 . . . . 1.0 110.526 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -64.23 -41.88 96.82 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.382 -0.527 . . . . 1.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -72.89 -36.57 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.809 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.4 m0 -59.9 -37.79 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.82 -44.28 94.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.558 -0.857 . . . . 1.0 110.414 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -64.34 -40.24 95.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.88 -33.3 30.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.498 -0.774 . . . . 1.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' TRP . 45.8 tp -79.91 -26.33 40.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -59.34 -45.05 92.46 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.392 -0.817 . . . . 1.0 111.571 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.13 -46.64 88.13 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.782 -0.767 . . . . 1.0 111.7 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -62.05 -43.18 99.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.446 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -73.49 -43.83 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.799 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -63.9 -42.44 97.44 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.904 0.383 . . . . 1.0 110.178 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -96.04 110.11 22.4 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.897 -1.049 . . . . 1.0 109.872 -179.556 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.94 83.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.44 -36.5 84.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.362 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.53 87.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -89.58 125.93 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -139.33 155.74 47.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.464 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.05 58.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.552 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.542 HG13 ' N ' ' A' ' 9' ' ' GLY . 9.5 p -63.42 -43.5 98.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.077 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.542 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -106.8 132.4 11.12 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -62.28 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 1.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 -138.64 78.56 31.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 14' ' ' LEU . 49.1 Cg_exo -53.36 -38.05 82.04 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.649 2.233 . . . . 1.0 112.293 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER 32.44 -89.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.619 0.574 . . . . 1.0 111.075 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' PRO . 38.5 tp -111.88 125.38 53.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.2 p -102.02 -1.84 30.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -70.96 147.08 49.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.48 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.15 -18.9 64.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.41 162.16 50.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.85 152.24 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 1.0 110.589 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.31 142.14 58.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.02 -24.54 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.763 -0.653 . . . . 1.0 111.285 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.97 -40.47 93.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.781 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 23' ' ' LEU . 11.0 mp -63.01 -41.7 99.64 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.647 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -65.33 102.72 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.07 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -73.45 -43.79 7.2 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.548 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 34.1 Cg_exo -58.18 -25.07 70.05 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 123.628 2.885 . . . . 1.0 113.595 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.58 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.578 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.05 -41.81 99.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.823 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.59 -41.43 96.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.526 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.26 -42.08 93.61 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.919 -0.712 . . . . 1.0 109.652 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.05 97.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.88 -46.18 91.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.054 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.13 -41.26 99.28 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.958 0.408 . . . . 1.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.5 p -67.98 -34.94 77.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.36 -38.39 91.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.483 -1.047 . . . . 1.0 110.483 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.64 -42.55 99.06 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 122.092 -0.652 . . . . 1.0 110.364 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.44 -41.45 98.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -71.32 -36.17 71.48 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.025 0.441 . . . . 1.0 111.537 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.4 m0 -58.9 -37.23 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.978 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 -41.08 83.39 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.975 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -64.45 -39.32 93.6 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.069 -1.052 . . . . 1.0 110.992 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.04 -36.57 64.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.152 -1.385 . . . . 1.0 111.519 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.97 -5.37 59.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.6 -0.727 . . . . 1.0 112.338 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.3 m -51.56 -43.17 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.105 -0.372 . . . . 1.0 111.625 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.41 -49.29 78.15 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.891 -1.124 . . . . 1.0 110.295 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 111.316 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.98 -40.82 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.998 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.9 -41.07 99.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.42 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -91.47 111.37 22.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.56 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.684 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.95 -38.56 88.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.95 144.2 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' VAL . 96.8 m-70 -65.66 -41.67 92.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 44.19 -129.63 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.398 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.55 89.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 5' ' ' HIS . 50.1 t -124.61 131.53 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.027 0.442 . . . . 1.0 111.827 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.81 -171.58 42.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -142.6 152.71 42.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 1.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -173.09 83.79 0.41 Allowed Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.42 -37.09 81.54 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.5 2.134 . . . . 1.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' HD22 ' A' ' 14' ' ' LEU . 17.3 m -70.14 148.63 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.9 mm? -97.37 132.1 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.837 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.1 p -82.16 168.8 17.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.978 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.96 0.93 3.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -92.32 -0.15 57.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.4 . . . . 1.0 110.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.27 164.16 47.87 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.344 -0.703 . . . . 1.0 111.344 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.31 148.11 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 1.0 111.047 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' LEU . 97.3 mt-10 59.65 39.09 21.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.274 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.0 -33.65 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.186 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.48 -35.91 82.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.7 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.604 ' C ' ' H ' ' A' ' 25' ' ' ALA . 40.8 tp -104.98 125.92 51.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -56.81 26.92 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.503 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.604 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -50.2 -48.18 80.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 O-C-N 122.148 -0.345 . . . . 1.0 111.608 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 53.0 Cg_exo -52.66 -40.5 73.24 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.783 1.655 . . . . 1.0 111.887 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.44 -43.34 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.87 -41.54 97.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.66 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.32 -41.52 98.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.334 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.198 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.98 -43.24 97.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 C-N-CA 120.599 -0.441 . . . . 1.0 109.813 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.05 -45.12 94.94 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 122.59 1.186 . . . . 1.0 109.462 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 87.3 mt -62.88 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 119.014 -1.074 . . . . 1.0 110.668 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -66.73 -39.41 87.95 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 114.912 -1.04 . . . . 1.0 110.71 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.12 -38.36 95.86 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.26 0.53 . . . . 1.0 110.009 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.89 -41.15 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.432 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 t -70.38 -37.44 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.902 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 40.6 m0 -58.33 -33.87 69.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.895 -0.593 . . . . 1.0 112.156 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.89 -40.56 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.166 -0.614 . . . . 1.0 110.103 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.72 -44.31 96.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.351 1.072 . . . . 1.0 110.288 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -71.88 -33.5 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 113.13 -1.85 . . . . 1.0 111.254 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.2 tp -81.9 -6.87 59.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.132 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -56.68 -45.28 81.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.04 -49.59 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.113 -1.035 . . . . 1.0 110.802 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.54 -40.05 88.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.046 0.451 . . . . 1.0 111.032 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -63.41 -41.81 98.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.892 -0.595 . . . . 1.0 111.534 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.467 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.586 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 142.13 57.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.616 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.17 -41.01 90.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.03 151.22 25.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.588 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 8' ' ' VAL . 74.1 m80 -66.49 -40.41 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.86 -39.47 93.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.098 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.75 95.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.277 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' HIS . 2.5 p -133.39 137.63 52.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 1.0 110.8 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.51 -173.82 40.76 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -75.05 142.74 43.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 1.0 110.52 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -148.69 65.87 8.63 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.617 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.46 157.34 53.15 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.771 2.314 . . . . 1.0 112.566 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -61.77 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.232 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.684 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -63.32 -45.27 92.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 1.0 110.317 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -76.86 163.16 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.728 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -91.7 1.93 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.393 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.91 10.2 79.3 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.4 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 1.0 110.53 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -114.86 134.6 55.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.064 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 23' ' ' LEU . 2.5 p -128.8 135.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.891 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.5 -35.27 79.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.633 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 21' ' ' VAL . 97.1 mt -71.82 147.97 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.592 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.6 p -139.54 169.27 18.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.086 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.651 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -48.4 -52.11 45.74 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.6 Cg_exo -53.93 -42.32 67.68 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.595 1.53 . . . . 1.0 111.831 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.6 -42.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.5 -41.18 96.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.929 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.07 -40.95 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.88 -40.76 87.91 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.639 -0.424 . . . . 1.0 109.86 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.76 -44.45 98.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.6 t80 -60.35 -46.17 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.075 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.74 -47.62 84.41 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.394 2.045 . . . . 1.0 109.036 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -61.63 -35.86 79.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 113.973 -1.467 . . . . 1.0 110.072 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.79 -39.19 97.67 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.5 mt -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.421 0.61 . . . . 1.0 110.237 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -63.5 -43.46 97.16 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.375 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -70.95 -34.71 71.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 43.4 m0 -60.43 -35.35 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.599 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.34 -42.63 78.02 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.893 -0.723 . . . . 1.0 109.308 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.34 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.12 0.962 . . . . 1.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -72.72 -35.13 67.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 113.502 -1.681 . . . . 1.0 111.465 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' TRP . 97.8 mt -83.41 -5.58 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.879 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -51.57 -43.41 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.73 -51.93 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.225 -0.99 . . . . 1.0 110.264 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.04 -44.62 96.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 1.0 110.75 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -63.35 -40.62 97.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.402 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.86 -41.09 99.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.378 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.95 -41.44 99.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.582 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.09 -0.707 . . . . 1.0 109.09 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.62 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.121 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 51.73 80.93 0.08 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.622 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.64 153.49 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -111.71 137.27 49.84 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.96 -37.67 88.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.741 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.41 155.99 44.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.31 162.51 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.51 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.78 -162.56 26.49 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -104.37 116.73 32.64 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-O 120.878 0.37 . . . . 1.0 110.06 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -168.95 85.74 0.65 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.509 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.13 147.05 95.79 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.258 1.972 . . . . 1.0 111.913 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -154.55 163.41 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 1.0 109.98 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 16' ' ' SER . 3.8 mm? -62.57 -41.6 99.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.02 -56.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.538 -0.755 . . . . 1.0 111.286 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.5 m -73.34 148.61 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 1.0 110.236 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -89.69 3.25 53.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.248 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.69 173.16 13.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.398 -1.081 . . . . 1.0 110.398 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.66 148.57 39.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.024 0.44 . . . . 1.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.98 -39.54 90.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 23' ' ' LEU . 51.6 t -123.7 129.96 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.976 0.417 . . . . 1.0 110.645 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -104.4 5.27 34.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 24' ' ' SER . 83.2 mt -62.14 -42.81 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.176 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.1 p 156.19 19.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.753 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.6 -51.0 63.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.502 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 31.1 Cg_exo -53.35 -46.67 32.17 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.746 1.631 . . . . 1.0 113.232 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 m -72.09 -37.76 61.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 119.867 -0.733 . . . . 1.0 110.643 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.2 -39.36 94.4 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.319 0.387 . . . . 1.0 111.712 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.92 -43.74 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.647 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -61.43 -44.02 97.85 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.079 -0.649 . . . . 1.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.99 -42.92 97.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.507 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -68.01 -36.78 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.182 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 -39.46 95.97 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.04 -42.36 99.1 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.566 0.683 . . . . 1.0 110.564 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.71 -42.05 98.01 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.1 p -71.53 -33.49 69.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 1.0 110.446 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.601 ' NE1' HD13 ' A' ' 43' ' ' LEU . 67.3 t-105 -60.82 -38.86 86.87 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.397 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.12 -36.25 74.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.123 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.46 -38.29 90.59 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.182 -1.007 . . . . 1.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -80.26 -16.29 55.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 114.911 -1.041 . . . . 1.0 109.541 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' NE1' ' A' ' 39' ' ' TRP . 12.5 tp -83.04 -6.59 59.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.546 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.28 -43.98 79.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.051 -0.5 . . . . 1.0 111.927 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.79 -51.25 70.11 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.233 0.924 . . . . 1.0 110.87 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.72 -39.72 88.12 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.131 0.491 . . . . 1.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.23 -43.36 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.586 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.26 -41.54 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -63.26 -43.53 97.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.763 -1.113 . . . . 1.0 110.898 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 141.61 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.141 0.496 . . . . 1.0 110.384 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.65 138.53 58.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.199 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.86 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.878 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -113.82 143.97 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.751 -0.659 . . . . 1.0 111.229 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -117.52 126.27 52.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.505 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -37.92 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.219 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.39 129.95 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.936 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.38 -172.91 42.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -87.33 125.54 34.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.155 0.502 . . . . 1.0 110.403 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -42.77 165.72 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.244 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -61.06 143.94 99.21 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.943 1.762 . . . . 1.0 111.448 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.7 p -79.49 160.37 26.58 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.313 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.75 -41.31 99.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -84.21 165.01 18.75 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 p -77.11 159.05 30.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 1.0 110.562 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.19 141.97 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.032 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.873 ' O ' HG12 ' A' ' 21' ' ' VAL . . . 77.28 20.89 74.39 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.65 -25.15 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 1.0 111.29 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -62.0 -33.41 74.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.436 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.873 HG12 ' O ' ' A' ' 18' ' ' GLY . 11.0 p -60.01 -26.67 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 121.112 -0.235 . . . . 1.0 111.23 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -115.85 127.78 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.173 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -144.83 172.01 13.62 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -47.06 -51.89 37.63 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.501 0.556 . . . . 1.0 112.501 -177.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 35.3 Cg_exo -54.32 -40.36 83.02 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.388 1.392 . . . . 1.0 112.168 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.61 -42.79 87.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.34 -41.59 98.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.451 -0.795 . . . . 1.0 111.287 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.71 -41.84 98.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.963 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.77 -39.07 84.13 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.545 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.85 -43.39 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.014 -0.675 . . . . 1.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.27 -46.77 88.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.787 -0.365 . . . . 1.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 33' ' ' LEU . 89.1 mt -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.077 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -66.03 -35.84 81.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.575 -0.738 . . . . 1.0 109.666 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.42 92.19 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.468 -1.053 . . . . 1.0 110.468 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.9 -43.42 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -62.66 -42.06 99.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.678 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -70.26 -35.43 73.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.191 0.519 . . . . 1.0 110.386 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 43' ' ' LEU . 63.7 t90 -60.62 -37.4 81.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.478 -0.783 . . . . 1.0 111.646 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.68 -32.44 70.49 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -61.94 -44.41 96.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.907 1.23 . . . . 1.0 108.347 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.23 -1.804 . . . . 1.0 110.027 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 39' ' ' TRP . 14.7 tp -81.53 -8.75 59.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.369 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 t -57.36 -45.93 83.89 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.44 0.533 . . . . 1.0 112.44 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.07 -48.2 81.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 118.367 -1.333 . . . . 1.0 110.85 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -62.34 -44.17 97.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.125 0.488 . . . . 1.0 110.5 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -61.03 -41.92 97.49 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.512 -0.767 . . . . 1.0 112.283 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.78 -40.57 96.99 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.538 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -94.99 110.05 22.0 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.188 0.518 . . . . 1.0 109.976 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.773 -1.108 . . . . 1.0 110.261 -179.546 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 ttp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.62 155.52 47.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.06 0.457 . . . . 1.0 111.364 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 141.64 58.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.18 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -137.53 147.56 45.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.901 0.381 . . . . 1.0 110.655 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -65.7 -41.72 91.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.825 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.09 -41.83 97.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.105 0.479 . . . . 1.0 109.96 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.5 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.509 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 4' ' ' ALA . 73.0 t -63.2 -44.95 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.232 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.8 177.07 51.58 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.31 141.17 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 1.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -169.64 73.43 0.68 Allowed Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.07 143.93 99.58 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.573 2.182 . . . . 1.0 112.166 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.9 p -66.68 -21.31 66.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.716 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 14' ' ' LEU . 90.0 mt -73.75 140.32 45.86 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.493 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p 54.77 169.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.857 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -75.16 161.61 29.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.478 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 37.5 p-10 -93.12 -0.44 56.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.729 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.62 6.1 77.47 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.46 -0.656 . . . . 1.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.73 56.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.633 0.217 . . . . 1.0 110.45 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -119.15 128.23 54.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.13 0.491 . . . . 1.0 111.288 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.5 -43.86 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.221 -0.9 . . . . 1.0 110.431 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.95 -38.38 90.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.075 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.23 -43.13 99.52 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.311 -0.556 . . . . 1.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -60.73 101.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.821 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -74.06 -42.53 5.8 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-O 121.138 0.494 . . . . 1.0 110.647 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 35.6 Cg_exo -59.31 -24.87 76.24 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 123.703 2.935 . . . . 1.0 113.838 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.76 -45.12 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.429 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -41.7 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.837 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -65.23 -40.88 94.64 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.27 -38.94 89.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.385 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.75 -43.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.403 -0.519 . . . . 1.0 111.191 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -61.73 -45.52 93.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.112 -0.635 . . . . 1.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.5 -41.83 98.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.862 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -62.58 -41.98 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.847 0.356 . . . . 1.0 110.483 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.77 94.52 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 121.247 -0.502 . . . . 1.0 111.984 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.0 -43.83 98.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.612 0.706 . . . . 1.0 111.044 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -64.12 -41.05 97.39 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 119.775 -0.77 . . . . 1.0 110.529 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 m -71.22 -36.81 71.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.595 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.703 ' CZ2' HD22 ' A' ' 43' ' ' LEU . 20.6 t90 -60.91 -38.67 86.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.187 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.51 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.221 -0.592 . . . . 1.0 110.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.32 -37.35 87.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.696 0.76 . . . . 1.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -80.08 -32.48 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.251 -1.34 . . . . 1.0 111.329 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' CZ2' ' A' ' 39' ' ' TRP . 39.5 tp -81.49 -13.44 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.184 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -58.3 -46.88 85.3 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.33 -0.856 . . . . 1.0 112.729 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.631 ' NH2' ' CZ ' ' A' ' 46' ' ' PHE . 74.0 ttp85 -59.81 -46.71 88.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.311 -0.956 . . . . 1.0 111.061 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.631 ' CZ ' ' NH2' ' A' ' 45' ' ' ARG . 87.6 m-85 -66.33 -39.28 89.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.492 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -66.1 -40.87 91.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.779 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -63.32 -40.8 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.07 140.6 54.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.429 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.065 -0.969 . . . . 1.0 110.644 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.88 88.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.482 0.658 . . . . 1.0 110.597 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 56.8 mp0 -65.14 -41.25 94.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.832 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.85 153.46 28.27 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.411 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -65.63 -42.7 91.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 1.0 110.687 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 53.0 tt0 -65.48 -39.21 91.68 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.76 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . 68.17 118.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.707 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.37 134.65 63.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.14 8.23 85.81 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.58 149.52 52.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.725 0.298 . . . . 1.0 110.594 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -162.4 168.36 10.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 1.0 110.121 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -54.78 -38.8 91.78 Favored 'Trans proline' 0 N--CA 1.498 1.759 0 C-N-CA 121.915 1.743 . . . . 1.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.024 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.1 mm? -62.78 -41.85 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.3 p -66.34 -33.12 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.011 0.434 . . . . 1.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -86.83 -7.33 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.59 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 55.35 32.71 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.447 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.96 87.52 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.477 -0.649 . . . . 1.0 111.477 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 1.0 110.212 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -69.44 137.74 52.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.09 130.82 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.956 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.89 -43.18 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.067 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 38.5 tp -117.31 125.43 51.06 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.446 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.4 t 157.94 21.05 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.306 0.574 . . . . 1.0 109.58 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.627 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.83 -49.76 71.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.974 -177.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.627 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 45.2 Cg_exo -54.25 -44.0 53.44 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 121.71 1.607 . . . . 1.0 112.448 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.13 -43.34 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.06 -41.9 98.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.033 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -64.34 -41.27 96.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.687 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.75 -41.12 92.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.46 -43.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -60.74 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.609 -0.437 . . . . 1.0 110.701 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.0 -42.62 99.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.218 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -63.23 -32.6 74.04 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 39' ' ' TRP . . . -62.69 -36.2 92.95 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.07 -42.28 99.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.192 0.996 . . . . 1.0 110.667 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.92 -43.26 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.252 -0.579 . . . . 1.0 110.909 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 p -70.49 -36.22 73.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.366 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 47.3 m0 -60.73 -34.11 73.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.999 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.88 -40.91 73.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.123 -0.631 . . . . 1.0 110.183 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.68 -42.97 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.608 1.194 . . . . 1.0 110.828 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.62 -33.88 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 112.94 -1.936 . . . . 1.0 110.696 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.4 tp -81.76 -7.88 59.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.174 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -57.03 -45.57 83.03 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.903 -0.498 . . . . 1.0 112.149 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -60.36 -49.59 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 118.692 -1.203 . . . . 1.0 110.989 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.68 -39.97 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 1.0 111.318 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -62.4 -40.96 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.214 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.56 -41.16 98.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 1.0 110.474 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -91.65 106.48 18.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.938 -1.03 . . . . 1.0 110.409 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.13 142.85 56.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.673 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 96.9 mt-10 -133.26 146.19 51.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 3' ' ' GLU . . . 65.32 103.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.636 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -66.14 -40.71 90.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.601 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.45 134.4 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 1.0 110.701 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.3 149.11 37.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.6 t -121.64 130.46 74.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.755 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.84 -45.7 81.25 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.167 -0.54 . . . . 1.0 111.794 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -132.24 146.24 51.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.892 0.377 . . . . 1.0 110.945 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 160.22 0.73 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.367 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.03 151.41 61.81 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.775 2.317 . . . . 1.0 112.337 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 p -77.04 163.74 26.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.57 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.3 p -114.4 4.74 15.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -73.32 158.69 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 1.0 110.736 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -78.6 151.97 32.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.82 -5.55 66.63 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.64 141.33 55.41 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.244 -0.28 . . . . 1.0 110.244 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -166.84 91.68 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.69 133.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.9 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.52 -37.57 87.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.45 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.55 -43.2 99.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.701 0.286 . . . . 1.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -66.12 101.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.099 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.626 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -72.36 -42.56 8.98 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.41 176.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 31.5 Cg_exo -58.93 -26.18 80.14 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 124.05 3.167 . . . . 1.0 113.958 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.15 -46.37 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-O 123.589 1.662 . . . . 1.0 108.317 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.6 -40.7 88.35 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.182 -1.407 . . . . 1.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.02 -41.51 99.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.748 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.16 -40.28 94.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.398 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.984 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.0 t80 -61.0 -46.43 90.79 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.38 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.15 -41.71 99.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.6 p -66.57 -35.13 79.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.634 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.91 -36.25 92.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.7 mt -61.63 -41.36 97.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.701 0.751 . . . . 1.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.61 -39.75 95.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.995 -0.682 . . . . 1.0 110.123 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 m -70.82 -37.16 73.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.551 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LEU . 56.8 m95 -63.24 -34.84 78.54 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.484 0.55 . . . . 1.0 112.484 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.22 -44.98 84.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.05 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.079 0.942 . . . . 1.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.53 -34.68 70.26 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 113.663 -1.608 . . . . 1.0 111.719 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 39' ' ' TRP . 33.3 tp -82.14 -7.95 59.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.181 -0.918 . . . . 1.0 110.776 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -52.84 -42.33 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.097 0.777 . . . . 1.0 113.097 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.87 -49.18 78.73 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.109 -1.036 . . . . 1.0 111.578 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -67.53 -38.36 84.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 1.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -64.26 -41.33 96.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.534 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -62.83 -40.9 98.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.77 141.81 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.696 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.907 -1.044 . . . . 1.0 110.754 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.82 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.74 136.95 53.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.438 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.34 144.57 56.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.515 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -110.87 138.37 47.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -75.33 141.22 43.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.743 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 146.17 55.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.288 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -116.72 131.0 70.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.76 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.85 -170.8 39.78 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.408 -1.077 . . . . 1.0 110.408 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -89.51 120.03 30.46 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.376 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -175.05 77.83 0.32 Allowed Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.192 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.07 144.28 99.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.523 2.149 . . . . 1.0 111.933 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -72.63 146.41 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.682 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.96 141.14 42.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.495 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.833 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 46.7 p -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.5 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.85 -34.44 75.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.727 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -87.85 113.37 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -3.13 67.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.833 ' HB2' ' O ' ' A' ' 15' ' ' THR . . . -64.39 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.997 0.427 . . . . 1.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -97.03 144.89 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 23' ' ' LEU . 48.7 t -121.08 131.26 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.694 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -99.28 -0.79 40.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.387 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 24' ' ' SER . 89.1 mt -106.7 129.19 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.732 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.3 p 156.56 18.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.247 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.25 -50.32 65.01 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 37.1 Cg_exo -54.68 -42.2 70.68 Favored 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 121.086 1.19 . . . . 1.0 112.645 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.95 -41.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 121.54 0.686 . . . . 1.0 109.657 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.87 -42.15 99.65 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.853 -1.067 . . . . 1.0 111.297 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -65.43 -40.44 93.32 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.26 0.466 . . . . 1.0 112.26 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.06 -42.17 85.18 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.781 -0.368 . . . . 1.0 111.409 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 32' ' ' TYR . 40.2 pt -68.07 -41.71 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.028 -0.669 . . . . 1.0 109.8 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' HG13 ' A' ' 31' ' ' ILE . 91.5 t80 -59.78 -47.19 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 1.0 110.447 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.448 . . . . 1.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 t -62.97 -42.42 99.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.72 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.64 -37.96 95.53 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.893 -0.67 . . . . 1.0 111.537 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.46 -42.33 98.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.748 0.774 . . . . 1.0 110.195 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.23 -43.23 99.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.248 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -70.08 -35.65 74.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.122 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 41.1 m0 -58.89 -34.41 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.801 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.03 -42.01 75.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.219 -0.593 . . . . 1.0 109.932 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.294 1.045 . . . . 1.0 110.404 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -71.83 -34.11 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.365 -1.743 . . . . 1.0 110.938 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.6 tp -81.88 -8.09 59.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.926 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -51.43 -42.77 61.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -60.5 -50.14 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.123 -1.031 . . . . 1.0 110.871 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.96 -39.37 87.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.109 0.48 . . . . 1.0 110.781 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -62.16 -40.79 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.66 -40.97 98.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.46 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -94.79 110.92 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.47 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 ttp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.55 140.87 56.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.062 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 52.5 mp0 -106.21 122.07 45.47 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.024 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.83 91.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.943 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -111.97 130.21 55.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -116.35 125.39 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.059 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.78 140.35 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.124 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 18.4 m -65.07 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.343 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 8' ' ' VAL . . . -64.95 -33.4 87.12 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.61 -0.596 . . . . 1.0 111.61 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 8' ' ' VAL . 74.6 m-85 59.1 7.97 0.95 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.851 0.358 . . . . 1.0 110.13 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -146.71 71.71 12.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.452 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.38 143.46 99.48 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.587 2.192 . . . . 1.0 111.69 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 14' ' ' LEU . 85.3 p -87.3 -7.65 57.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.4 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 14' ' ' LEU . 10.8 mp -103.07 130.59 50.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.695 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.8 p -131.83 160.67 34.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.501 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -59.86 -41.71 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.058 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -67.64 137.73 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.727 -0.472 . . . . 1.0 109.727 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . 71.19 18.28 76.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.71 91.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.729 0.3 . . . . 1.0 111.196 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -41.52 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.888 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' GLY . 31.1 m -124.85 130.54 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.597 -0.274 . . . . 1.0 110.474 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.81 -40.41 91.85 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.28 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 24' ' ' SER . 97.9 mt -95.73 -94.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.514 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.4 p 156.42 18.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.582 -0.735 . . . . 1.0 109.742 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.607 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.74 -50.23 68.47 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.893 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 40.5 Cg_exo -54.1 -45.15 43.14 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.59 1.527 . . . . 1.0 112.278 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.38 -43.2 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.0 110.021 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.87 -41.62 99.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.936 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.28 -41.03 98.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.295 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.91 -41.35 87.26 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.769 -0.373 . . . . 1.0 110.307 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.5 -43.42 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.603 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.44 -47.92 83.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.75 -43.01 99.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.43 . . . . 1.0 110.084 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -63.17 -42.9 99.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.89 -38.21 95.77 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.585 -0.606 . . . . 1.0 111.585 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.548 0.674 . . . . 1.0 110.382 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -62.13 -43.32 99.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.327 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 p -71.0 -34.27 71.19 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.558 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.8 m0 -60.16 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.055 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.95 -40.0 75.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.078 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.73 -41.84 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 118.875 -1.13 . . . . 1.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.57 -34.93 67.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 113.842 -1.526 . . . . 1.0 110.995 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.22 -6.78 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.242 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -51.09 -42.23 60.5 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.05 -49.85 75.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 119.422 -0.911 . . . . 1.0 110.761 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.11 -41.05 95.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.116 0.484 . . . . 1.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -61.55 -42.78 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.61 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -63.23 -40.75 98.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.253 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.91 -40.73 96.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 118.026 -0.987 . . . . 1.0 110.686 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.322 -0.622 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.01 145.34 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.042 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.73 -40.43 95.31 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.764 0.316 . . . . 1.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.1 -3.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.804 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.41 -41.25 89.57 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.548 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 40.37 86.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.136 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 143.13 54.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.04 160.8 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 1.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.08 174.72 47.27 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -76.1 142.81 41.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.881 0.372 . . . . 1.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 40.66 73.96 0.79 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 1.0 110.869 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' THR . 50.8 Cg_exo -54.45 -39.0 89.71 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.584 2.189 . . . . 1.0 112.239 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -61.17 -41.34 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 1.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.6 -42.31 99.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.763 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 12' ' ' PRO . 88.5 m -121.51 128.44 52.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.085 0.469 . . . . 1.0 111.508 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -71.58 147.66 47.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.202 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.72 -34.51 78.04 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.95 0.881 . . . . 1.0 109.676 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.98 78.67 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 119.688 -1.244 . . . . 1.0 110.866 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.577 -0.367 . . . . 1.0 110.585 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.84 99.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.027 0.442 . . . . 1.0 110.765 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.77 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . 97.3 mt-10 -66.24 -41.01 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.009 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' GLU . 41.2 tp 32.3 75.79 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.215 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -73.77 128.9 36.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 1.0 111.917 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -74.75 -44.62 5.24 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.182 177.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 37.4 Cg_exo -58.1 -21.65 52.0 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 123.529 2.819 . . . . 1.0 113.621 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.81 -45.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.607 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.34 -42.08 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.179 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.98 -40.71 97.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.687 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.32 -40.49 89.95 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.2 -43.54 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.44 -47.15 87.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.454 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.97 -43.04 99.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 1.0 110.334 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 m -62.59 -41.93 99.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.577 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.72 -37.75 94.76 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.015 -0.612 . . . . 1.0 111.693 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.8 -42.33 98.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.304 0.552 . . . . 1.0 110.892 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.27 -41.26 97.0 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.59 -40.71 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 1.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.549 ' NE1' HD21 ' A' ' 43' ' ' LEU . 52.4 t-105 -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.416 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 43' ' ' LEU . 65.6 tttm -58.61 -30.7 67.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.007 -178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.91 -45.21 93.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 117.802 -1.559 . . . . 1.0 108.032 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -63.95 -17.57 63.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.196 -1.366 . . . . 1.0 110.942 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.549 HD21 ' NE1' ' A' ' 39' ' ' TRP . 91.8 mt -82.59 -6.93 59.62 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -56.89 -45.51 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.34 -49.8 76.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.175 -1.01 . . . . 1.0 110.636 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -66.91 -39.9 87.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.506 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -62.01 -40.62 96.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.383 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.079 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -93.74 111.54 23.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.568 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' OXT' ' CG ' ' A' ' 50' ' ' PHE . 90.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 143.53 57.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.992 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.31 -36.29 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.21 146.73 52.21 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.32 -41.0 94.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.408 . . . . 1.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.32 117.45 33.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 1.0 109.927 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.14 -11.5 32.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.686 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 9' ' ' GLY . 12.7 p -63.95 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.453 . . . . 1.0 110.706 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 8' ' ' VAL . . . 80.33 -173.78 54.91 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.603 -0.999 . . . . 1.0 110.603 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.82 141.09 42.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.937 0.398 . . . . 1.0 110.725 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -143.46 155.94 60.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.3 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.95 -18.85 58.0 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.303 2.002 . . . . 1.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 m -60.75 -38.36 84.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.37 -43.43 98.84 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 121.041 -0.263 . . . . 1.0 110.663 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -83.97 166.0 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.644 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 t -66.86 137.22 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.307 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -97.45 109.43 22.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.14 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.45 144.39 29.27 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.265 -1.134 . . . . 1.0 110.265 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.59 152.81 29.21 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.467 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.76 -40.18 91.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.869 -0.419 . . . . 1.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 22' ' ' GLU . 10.7 p -63.79 -38.91 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.74 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 21' ' ' VAL . 83.0 tt0 -65.64 -41.28 92.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.043 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.63 ' C ' ' H ' ' A' ' 25' ' ' ALA . 84.2 mt -62.37 -42.85 99.74 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.293 -0.563 . . . . 1.0 109.704 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -58.59 14.68 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.353 -0.839 . . . . 1.0 111.257 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.63 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -49.37 -47.17 77.63 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 50.7 Cg_exo -53.6 -40.36 79.51 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.016 1.811 . . . . 1.0 111.445 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.44 0.638 . . . . 1.0 109.901 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.32 -42.15 99.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.678 -1.146 . . . . 1.0 110.42 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.73 -42.68 95.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.183 -0.607 . . . . 1.0 111.554 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.8 -44.67 80.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 1.0 112.118 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.32 -41.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 119.673 -0.811 . . . . 1.0 110.322 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.72 -45.44 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.904 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.4 -41.7 98.76 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 1.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.1 m -61.88 -42.9 99.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.566 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.68 94.62 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.985 -0.626 . . . . 1.0 111.598 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.05 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.534 0.667 . . . . 1.0 110.113 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.07 -42.96 99.79 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -70.2 -34.59 73.12 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.493 0.663 . . . . 1.0 110.96 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.724 ' NE1' HD13 ' A' ' 43' ' ' LEU . 74.3 t-105 -57.57 -38.98 75.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 1.0 111.377 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.43 -42.15 81.85 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -63.77 -39.74 94.98 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.113 0.959 . . . . 1.0 110.928 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.82 -32.61 62.02 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.648 -1.615 . . . . 1.0 111.02 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.724 HD13 ' NE1' ' A' ' 39' ' ' TRP . 14.5 tp -81.12 -5.97 58.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.658 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 m -53.91 -44.32 70.46 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.778 0.659 . . . . 1.0 112.778 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.55 -51.39 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 118.806 -1.158 . . . . 1.0 110.935 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' ASP . 90.6 m-85 -65.12 -40.64 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.947 0.403 . . . . 1.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.94 -41.28 97.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.62 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' PHE . 39.7 t0 -95.76 113.03 24.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.073 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.651 -179.56 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.4 142.29 58.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.726 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 45.7 33.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.137 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.49 153.29 33.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -112.92 137.03 51.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.3 -40.79 94.25 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.617 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.71 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.03 -45.55 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.72 164.23 29.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -61.87 -44.15 97.4 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.594 0.235 . . . . 1.0 110.943 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 46.18 71.67 1.49 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -62.21 145.52 96.19 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.684 2.256 . . . . 1.0 112.383 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -130.59 152.69 49.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.78 131.63 54.89 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.0 p -69.62 137.33 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 1.0 111.32 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.935 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -95.9 108.9 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.272 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -127.13 139.02 10.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.575 -0.61 . . . . 1.0 111.575 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 -10.75 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.778 0.323 . . . . 1.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' LEU . 96.6 mt-10 -63.48 -40.25 96.59 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.461 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 18' ' ' GLY . 11.6 m -67.98 -40.61 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.899 0.381 . . . . 1.0 111.405 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 21' ' ' VAL . 96.7 mt-10 -69.57 -37.49 77.01 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.157 0.799 . . . . 1.0 113.157 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' SER . 94.3 mt -125.21 169.17 12.51 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.483 0.182 . . . . 1.0 110.549 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.499 ' O ' ' OG ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 164.54 18.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.267 0.556 . . . . 1.0 111.002 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.637 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -50.71 -49.59 78.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.461 0.541 . . . . 1.0 112.461 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 51.5 Cg_exo -53.3 -44.4 49.24 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 121.94 1.76 . . . . 1.0 113.239 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 24' ' ' SER . 26.9 m -71.24 -35.66 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.413 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.7 -41.06 98.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.381 . . . . 1.0 110.396 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.5 -40.9 98.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.97 -40.69 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.46 -43.71 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.177 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 89.4 t80 -61.06 -46.13 91.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.989 0.423 . . . . 1.0 110.712 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.27 -43.13 98.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.217 0.532 . . . . 1.0 110.425 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -61.71 -39.66 92.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.126 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.86 -40.7 99.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.165 -0.541 . . . . 1.0 111.806 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 9.9 mp -61.66 -41.45 97.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.958 0.879 . . . . 1.0 111.1 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.26 -40.21 96.77 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.77 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -71.77 -35.63 70.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.269 0.557 . . . . 1.0 110.942 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 47.7 m0 -59.31 -33.14 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.718 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.27 -41.01 75.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.895 -0.722 . . . . 1.0 109.557 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -62.81 -46.38 88.24 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.653 -1.219 . . . . 1.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.97 -35.0 78.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.555 -1.657 . . . . 1.0 111.209 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' TRP . 94.6 mt -81.56 -6.5 59.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.224 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -56.97 -45.8 82.63 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.951 -0.468 . . . . 1.0 112.228 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.03 -49.7 76.89 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.604 -0.838 . . . . 1.0 110.846 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.05 -41.05 91.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.135 0.493 . . . . 1.0 111.339 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -62.04 -40.59 96.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.643 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.1 -40.77 96.94 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.238 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.698 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.087 -0.959 . . . . 1.0 110.725 -179.782 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.96 89.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -114.58 125.62 53.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.123 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.31 151.84 32.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.691 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' GLN . 84.9 t60 -65.37 -42.85 92.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.531 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 5' ' ' HIS . 67.8 tp60 56.73 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.368 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.75 153.59 33.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.397 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.0 159.92 42.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.654 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.27 -15.88 54.65 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.358 -0.697 . . . . 1.0 111.358 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 50.26 77.66 0.45 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.45 146.04 97.47 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.723 2.282 . . . . 1.0 111.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -136.51 145.58 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.686 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.71 -42.41 99.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -78.09 165.73 23.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.029 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -67.19 145.41 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.938 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -78.91 115.72 18.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.8 7.66 74.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.646 -0.982 . . . . 1.0 110.646 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.06 148.23 28.77 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.563 0.221 . . . . 1.0 110.505 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 55.3 mp0 -136.97 146.62 45.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.938 0.399 . . . . 1.0 110.595 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.9 m -65.53 -38.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -62.73 -37.44 86.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 88.3 mt -105.44 127.21 52.87 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.312 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.5 t 155.14 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.534 0.683 . . . . 1.0 109.232 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.642 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.15 -50.85 61.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.929 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.0 Cg_exo -53.44 -43.06 60.74 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.631 1.554 . . . . 1.0 112.139 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.24 -43.03 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.199 0.523 . . . . 1.0 109.867 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.08 -41.68 98.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.275 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' HD13 ' A' ' 33' ' ' LEU . 99.6 mm-40 -64.43 -42.99 95.71 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.806 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.92 -40.09 95.67 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.179 -0.675 . . . . 1.0 109.179 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.93 -44.85 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 119.14 -1.024 . . . . 1.0 110.432 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -59.17 -46.25 88.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.193 -0.603 . . . . 1.0 110.312 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 29' ' ' GLN . 8.2 mp -62.25 -40.69 97.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.259 0.552 . . . . 1.0 110.404 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 m -67.08 -38.24 85.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.76 0.791 . . . . 1.0 110.436 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.29 -38.5 95.96 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -42.45 98.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.631 0.715 . . . . 1.0 110.063 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -64.17 -41.34 97.16 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.242 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -71.5 -38.04 71.2 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.407 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.1 m0 -58.7 -36.33 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 1.0 112.246 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.79 -40.89 66.69 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.512 -0.875 . . . . 1.0 109.552 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.58 -44.15 96.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.025 0.917 . . . . 1.0 111.34 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -72.69 -35.66 67.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.947 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.64 -5.06 59.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 1.0 112.484 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.64 -44.9 81.75 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.789 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.24 -48.82 80.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.085 -1.046 . . . . 1.0 110.316 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.128 0.49 . . . . 1.0 111.011 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -62.25 -41.05 98.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.82 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.89 -40.92 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.422 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -94.92 110.86 22.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.625 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.434 ' OXT' ' CD2' ' A' ' 50' ' ' PHE . 89.1 t80 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.565 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 144.24 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.479 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 59.08 30.76 20.64 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.89 144.63 54.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.435 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -109.81 130.37 55.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.3 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -127.65 138.83 52.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.234 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.66 141.3 58.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.927 0.394 . . . . 1.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.04 135.46 60.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.057 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.16 12.62 80.57 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.365 -0.694 . . . . 1.0 111.365 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -121.74 128.88 52.26 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.554 -0.165 . . . . 1.0 110.554 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' NH1' ' OD2' ' A' ' 17' ' ' ASP . 8.8 mtp180 -142.96 147.75 42.71 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.164 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' THR . 33.1 Cg_endo -64.13 145.29 89.04 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 121.895 1.73 . . . . 1.0 111.456 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -69.62 -18.91 63.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.429 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.79 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.28 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' PRO . 70.7 p -131.31 159.69 37.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 1.0 110.965 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.5 p -158.03 161.85 38.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.311 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' OD2' ' NH1' ' A' ' 11' ' ' ARG . 77.0 m-20 -67.69 140.01 56.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.751 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.57 140.52 11.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 140.09 57.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.921 0.391 . . . . 1.0 110.379 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' LEU . 97.0 mt-10 -138.8 -2.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.498 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 22' ' ' GLU . 33.1 m -66.08 -39.72 85.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.008 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 21' ' ' VAL . 96.9 mt-10 -65.56 -43.9 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.807 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 24' ' ' SER . 87.6 mt -116.87 126.07 52.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.216 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.1 m 151.45 18.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.306 0.574 . . . . 1.0 109.748 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -46.67 -48.58 49.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.57 -178.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 52.6 Cg_exo -54.35 -40.83 81.09 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.352 1.368 . . . . 1.0 111.931 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.08 -41.99 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.423 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.376 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.42 -40.42 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.895 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -67.28 -41.09 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.6 -43.44 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.79 -46.41 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.155 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.46 -42.28 98.61 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.879 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.23 -36.57 83.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.376 -0.529 . . . . 1.0 110.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -65.48 -38.11 94.46 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.625 -0.798 . . . . 1.0 111.451 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.02 -42.03 98.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.601 0.7 . . . . 1.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -63.09 -43.77 97.6 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.569 -0.453 . . . . 1.0 110.457 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -70.68 -36.67 73.42 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.292 0.568 . . . . 1.0 111.32 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.0 m0 -58.64 -33.92 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 111.51 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.8 -41.83 78.43 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.859 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.62 -40.07 93.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.35 1.072 . . . . 1.0 110.441 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -75.7 -34.06 60.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 113.177 -1.828 . . . . 1.0 111.403 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' TRP . 12.9 tp -82.25 -6.09 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.204 1.001 . . . . 1.0 111.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -57.68 -45.6 85.4 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.067 -0.396 . . . . 1.0 111.559 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.12 -51.08 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.393 -0.923 . . . . 1.0 110.441 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 93.0 m-85 -67.92 -39.25 83.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 1.0 111.713 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.528 ' CZ3' ' ND2' ' A' ' 48' ' ' ASN . 34.1 t90 -63.47 -39.75 95.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.685 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.528 ' ND2' ' CZ3' ' A' ' 47' ' ' TRP . 96.9 m-20 -101.31 14.1 33.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 50' ' ' PHE . 50.1 p-10 -64.8 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.554 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 91.6 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.231 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.495 1.603 0 CA-C-O 120.824 0.26 . . . . 1.0 112.247 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.76 -43.76 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -41.79 99.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.908 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.61 -41.61 98.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.496 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -66.38 -41.43 89.43 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.67 -43.7 93.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.036 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.107 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.14 -45.99 92.39 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 120.279 -0.568 . . . . 1.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -41.85 98.91 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.626 0.727 . . . . 1.0 110.674 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -67.51 -37.67 83.15 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.771 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.13 95.28 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.37 -42.21 98.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.371 0.586 . . . . 1.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.8 -42.71 98.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -70.83 -34.82 72.08 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.211 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -57.05 -38.81 73.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.29 -40.2 70.77 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.594 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -62.08 -41.14 97.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.898 0.856 . . . . 1.0 111.466 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.87 -32.43 65.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.944 -1.48 . . . . 1.0 111.024 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -82.96 -5.28 59.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 1.0 112.149 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -52.14 -43.92 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.94 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.88 -49.71 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.323 -0.951 . . . . 1.0 110.917 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.37 -40.45 89.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -62.4 -41.68 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.623 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.3 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.534 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo . . . . . 0 N--CA 1.498 1.756 0 CA-C-O 120.853 0.272 . . . . 1.0 111.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.89 -43.3 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.39 -41.71 98.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.801 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.08 -40.98 97.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.304 -0.558 . . . . 1.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.85 -41.2 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.0 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.51 -43.75 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.592 -0.443 . . . . 1.0 109.831 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.39 -46.49 89.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 1.0 110.845 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.52 -42.16 99.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 78.1 p -66.74 -38.1 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.504 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.29 97.28 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.199 -0.589 . . . . 1.0 110.81 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 88.7 mtm180 -63.39 -40.44 97.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.946 -0.702 . . . . 1.0 109.851 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.1 p -71.48 -31.85 67.59 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 122.343 1.068 . . . . 1.0 110.13 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.763 ' NE1' HD13 ' A' ' 43' ' ' LEU . 76.2 t-105 -61.21 -37.37 82.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.426 -1.261 . . . . 1.0 111.059 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.01 -37.81 77.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 119.413 -0.327 . . . . 1.0 110.137 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -64.04 -45.34 89.27 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 118.328 -1.349 . . . . 1.0 109.491 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -69.18 -33.1 72.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 113.289 -1.778 . . . . 1.0 111.132 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 ' NE1' ' A' ' 39' ' ' TRP . 13.0 tp -81.81 -7.78 59.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.281 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -50.75 -44.02 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.489 0.552 . . . . 1.0 112.489 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -60.24 -49.63 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.483 -0.887 . . . . 1.0 111.249 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -66.67 -40.42 88.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 1.0 110.865 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.836 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.58 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo . . . . . 0 N--CA 1.496 1.658 0 N-CA-C 113.254 0.444 . . . . 1.0 113.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -71.54 -37.29 63.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.32 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.14 -41.47 99.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.863 0.363 . . . . 1.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.27 -41.56 99.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.744 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.08 -40.61 87.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.61 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.33 -41.9 92.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-O 121.087 0.47 . . . . 1.0 109.741 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 36' ' ' LEU . 90.6 t80 -62.68 -45.75 91.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.943 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.11 -42.41 99.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.8 m -64.18 -38.86 92.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.61 -38.37 95.6 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 120.771 -0.728 . . . . 1.0 111.405 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 32' ' ' TYR . 89.5 mt -61.9 -41.3 97.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 117.793 0.796 . . . . 1.0 110.392 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.234 -0.586 . . . . 1.0 110.788 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.6 p -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.421 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.5 m0 -60.07 -35.15 74.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.61 -39.74 77.56 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.312 -0.955 . . . . 1.0 109.589 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.53 -43.82 96.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.157 0.979 . . . . 1.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -72.9 -35.42 67.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.532 -1.667 . . . . 1.0 111.139 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.78 -5.42 59.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.242 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -52.1 -43.41 63.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.836 0.309 . . . . 1.0 111.836 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.38 -49.49 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.201 -1.0 . . . . 1.0 110.371 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.0 -44.86 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.139 0.495 . . . . 1.0 110.895 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -63.11 -41.25 99.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.746 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.612 -179.902 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo . . . . . 0 N--CA 1.495 1.613 0 CA-C-O 120.962 0.317 . . . . 1.0 111.951 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.6 -43.66 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.774 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.59 -40.53 97.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.447 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.012 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.48 -41.04 85.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.411 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.83 -44.03 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.801 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.36 -46.52 89.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.56 -43.89 97.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 1.0 110.288 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -65.04 -43.19 93.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.193 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.39 -34.6 90.4 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.85 -42.18 99.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.474 0.637 . . . . 1.0 109.828 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -63.13 -40.62 98.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.978 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -70.96 -34.04 71.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.035 0.445 . . . . 1.0 111.146 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.429 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -56.23 -42.63 77.59 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.509 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.71 -44.22 97.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.531 1.158 . . . . 1.0 110.326 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -67.7 -33.97 75.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 112.722 -2.035 . . . . 1.0 110.537 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.09 -4.48 56.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 p -51.57 -44.4 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.335 0.495 . . . . 1.0 112.335 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.15 -50.95 71.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.406 -0.917 . . . . 1.0 111.315 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.46 -40.56 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 1.0 110.77 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -61.0 -44.2 97.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.264 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' ' 48' ' ' ASN . 6.8 m120 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.139 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 CA-C-O 120.637 0.182 . . . . 1.0 112.165 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.08 -43.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.5 99.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.713 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.15 -40.37 97.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.39 -39.52 89.1 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.245 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.31 -44.4 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.93 -0.396 . . . . 1.0 109.93 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.97 -47.77 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.07 99.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 1.0 110.881 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.2 p -68.68 -37.75 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.221 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.557 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.66 -41.82 88.76 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.538 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.32 -42.12 98.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.517 0.659 . . . . 1.0 110.526 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -64.23 -41.88 96.82 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.382 -0.527 . . . . 1.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -72.89 -36.57 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.809 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.4 m0 -59.9 -37.79 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.82 -44.28 94.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.558 -0.857 . . . . 1.0 110.414 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -64.34 -40.24 95.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.88 -33.3 30.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.498 -0.774 . . . . 1.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' TRP . 45.8 tp -79.91 -26.33 40.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -59.34 -45.05 92.46 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.392 -0.817 . . . . 1.0 111.571 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.13 -46.64 88.13 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.782 -0.767 . . . . 1.0 111.7 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -62.05 -43.18 99.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.446 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -73.49 -43.83 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.799 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.333 -0.152 0 CA-C-O 120.904 0.383 . . . . 1.0 110.178 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 N--CA 1.498 1.762 0 N-CA-C 113.595 0.575 . . . . 1.0 113.595 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.58 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.578 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.05 -41.81 99.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.823 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.59 -41.43 96.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.526 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.26 -42.08 93.61 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.919 -0.712 . . . . 1.0 109.652 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.05 97.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.88 -46.18 91.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.054 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.13 -41.26 99.28 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.958 0.408 . . . . 1.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.5 p -67.98 -34.94 77.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.36 -38.39 91.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.483 -1.047 . . . . 1.0 110.483 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.64 -42.55 99.06 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 122.092 -0.652 . . . . 1.0 110.364 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.44 -41.45 98.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -71.32 -36.17 71.48 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.025 0.441 . . . . 1.0 111.537 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.4 m0 -58.9 -37.23 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.978 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 -41.08 83.39 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.975 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -64.45 -39.32 93.6 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.069 -1.052 . . . . 1.0 110.992 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.04 -36.57 64.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.152 -1.385 . . . . 1.0 111.519 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.97 -5.37 59.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.6 -0.727 . . . . 1.0 112.338 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.3 m -51.56 -43.17 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.105 -0.372 . . . . 1.0 111.625 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.41 -49.29 78.15 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.891 -1.124 . . . . 1.0 110.295 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 111.316 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.98 -40.82 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.998 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.42 179.822 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 N--CA 1.494 1.517 0 CA-C-O 120.748 0.228 . . . . 1.0 111.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.44 -43.34 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.87 -41.54 97.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.66 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.32 -41.52 98.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.334 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.198 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.98 -43.24 97.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 C-N-CA 120.599 -0.441 . . . . 1.0 109.813 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.05 -45.12 94.94 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 122.59 1.186 . . . . 1.0 109.462 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 87.3 mt -62.88 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 119.014 -1.074 . . . . 1.0 110.668 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -66.73 -39.41 87.95 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 114.912 -1.04 . . . . 1.0 110.71 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.12 -38.36 95.86 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.26 0.53 . . . . 1.0 110.009 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.89 -41.15 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.432 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 t -70.38 -37.44 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.902 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 40.6 m0 -58.33 -33.87 69.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.895 -0.593 . . . . 1.0 112.156 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.89 -40.56 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.166 -0.614 . . . . 1.0 110.103 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.72 -44.31 96.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.351 1.072 . . . . 1.0 110.288 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -71.88 -33.5 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 113.13 -1.85 . . . . 1.0 111.254 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.2 tp -81.9 -6.87 59.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.132 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -56.68 -45.28 81.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.04 -49.59 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.113 -1.035 . . . . 1.0 110.802 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.54 -40.05 88.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.046 0.451 . . . . 1.0 111.032 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -63.41 -41.81 98.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.892 -0.595 . . . . 1.0 111.534 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.467 179.854 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo . . . . . 0 N--CA 1.496 1.645 0 CA-C-O 120.737 0.224 . . . . 1.0 111.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.6 -42.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.5 -41.18 96.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.929 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.07 -40.95 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.88 -40.76 87.91 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.639 -0.424 . . . . 1.0 109.86 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.76 -44.45 98.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.6 t80 -60.35 -46.17 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.075 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.74 -47.62 84.41 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.394 2.045 . . . . 1.0 109.036 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -61.63 -35.86 79.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 113.973 -1.467 . . . . 1.0 110.072 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.79 -39.19 97.67 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.5 mt -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.421 0.61 . . . . 1.0 110.237 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -63.5 -43.46 97.16 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.375 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -70.95 -34.71 71.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 43.4 m0 -60.43 -35.35 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.599 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.34 -42.63 78.02 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.893 -0.723 . . . . 1.0 109.308 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.34 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.12 0.962 . . . . 1.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -72.72 -35.13 67.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 113.502 -1.681 . . . . 1.0 111.465 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' TRP . 97.8 mt -83.41 -5.58 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.879 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -51.57 -43.41 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.73 -51.93 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.225 -0.99 . . . . 1.0 110.264 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.04 -44.62 96.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 1.0 110.75 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -63.35 -40.62 97.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.402 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.378 179.671 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo . . . . . 0 N--CA 1.497 1.703 0 N-CA-C 113.232 0.435 . . . . 1.0 113.232 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 m -72.09 -37.76 61.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 119.867 -0.733 . . . . 1.0 110.643 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.2 -39.36 94.4 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.319 0.387 . . . . 1.0 111.712 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.92 -43.74 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.647 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -61.43 -44.02 97.85 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.079 -0.649 . . . . 1.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.99 -42.92 97.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.507 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -68.01 -36.78 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.182 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 -39.46 95.97 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.04 -42.36 99.1 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.566 0.683 . . . . 1.0 110.564 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.71 -42.05 98.01 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.1 p -71.53 -33.49 69.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 1.0 110.446 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.601 ' NE1' HD13 ' A' ' 43' ' ' LEU . 67.3 t-105 -60.82 -38.86 86.87 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.397 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.12 -36.25 74.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.123 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.46 -38.29 90.59 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.182 -1.007 . . . . 1.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -80.26 -16.29 55.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 114.911 -1.041 . . . . 1.0 109.541 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' NE1' ' A' ' 39' ' ' TRP . 12.5 tp -83.04 -6.59 59.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.546 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.28 -43.98 79.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.051 -0.5 . . . . 1.0 111.927 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.79 -51.25 70.11 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.233 0.924 . . . . 1.0 110.87 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.72 -39.72 88.12 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.131 0.491 . . . . 1.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.23 -43.36 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.586 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.72 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 120.695 0.206 . . . . 1.0 112.168 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.61 -42.79 87.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.34 -41.59 98.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.451 -0.795 . . . . 1.0 111.287 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.71 -41.84 98.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.963 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.77 -39.07 84.13 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.545 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.85 -43.39 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.014 -0.675 . . . . 1.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.27 -46.77 88.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.787 -0.365 . . . . 1.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 33' ' ' LEU . 89.1 mt -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.077 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -66.03 -35.84 81.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.575 -0.738 . . . . 1.0 109.666 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.42 92.19 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.468 -1.053 . . . . 1.0 110.468 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.9 -43.42 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -62.66 -42.06 99.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.678 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -70.26 -35.43 73.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.191 0.519 . . . . 1.0 110.386 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 43' ' ' LEU . 63.7 t90 -60.62 -37.4 81.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.478 -0.783 . . . . 1.0 111.646 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.68 -32.44 70.49 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -61.94 -44.41 96.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.907 1.23 . . . . 1.0 108.347 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.23 -1.804 . . . . 1.0 110.027 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 39' ' ' TRP . 14.7 tp -81.53 -8.75 59.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.369 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 t -57.36 -45.93 83.89 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.44 0.533 . . . . 1.0 112.44 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.07 -48.2 81.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 118.367 -1.333 . . . . 1.0 110.85 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -62.34 -44.17 97.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.125 0.488 . . . . 1.0 110.5 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -61.03 -41.92 97.49 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.512 -0.767 . . . . 1.0 112.283 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.538 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo . . . . . 0 N--CA 1.5 1.859 0 N-CA-C 113.838 0.669 . . . . 1.0 113.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.76 -45.12 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.429 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -41.7 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.837 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -65.23 -40.88 94.64 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.27 -38.94 89.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.385 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.75 -43.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.403 -0.519 . . . . 1.0 111.191 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -61.73 -45.52 93.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.112 -0.635 . . . . 1.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.5 -41.83 98.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.862 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -62.58 -41.98 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.847 0.356 . . . . 1.0 110.483 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.77 94.52 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 121.247 -0.502 . . . . 1.0 111.984 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.0 -43.83 98.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.612 0.706 . . . . 1.0 111.044 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -64.12 -41.05 97.39 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 119.775 -0.77 . . . . 1.0 110.529 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 m -71.22 -36.81 71.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.595 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.703 ' CZ2' HD22 ' A' ' 43' ' ' LEU . 20.6 t90 -60.91 -38.67 86.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.187 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.51 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.221 -0.592 . . . . 1.0 110.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.32 -37.35 87.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.696 0.76 . . . . 1.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -80.08 -32.48 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.251 -1.34 . . . . 1.0 111.329 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' CZ2' ' A' ' 39' ' ' TRP . 39.5 tp -81.49 -13.44 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.184 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -58.3 -46.88 85.3 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.33 -0.856 . . . . 1.0 112.729 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.631 ' NH2' ' CZ ' ' A' ' 46' ' ' PHE . 74.0 ttp85 -59.81 -46.71 88.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.311 -0.956 . . . . 1.0 111.061 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.631 ' CZ ' ' NH2' ' A' ' 45' ' ' ARG . 87.6 m-85 -66.33 -39.28 89.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.492 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -66.1 -40.87 91.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.779 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.5 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.482 179.68 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo . . . . . 0 N--CA 1.49 1.284 0 N-CA-C 112.448 0.134 . . . . 1.0 112.448 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.13 -43.34 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.06 -41.9 98.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.033 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -64.34 -41.27 96.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.687 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.75 -41.12 92.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.46 -43.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -60.74 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.609 -0.437 . . . . 1.0 110.701 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.0 -42.62 99.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.218 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -63.23 -32.6 74.04 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 39' ' ' TRP . . . -62.69 -36.2 92.95 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.07 -42.28 99.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.192 0.996 . . . . 1.0 110.667 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.92 -43.26 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.252 -0.579 . . . . 1.0 110.909 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 p -70.49 -36.22 73.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.366 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 47.3 m0 -60.73 -34.11 73.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.999 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.88 -40.91 73.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.123 -0.631 . . . . 1.0 110.183 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.68 -42.97 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.608 1.194 . . . . 1.0 110.828 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.62 -33.88 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 112.94 -1.936 . . . . 1.0 110.696 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.4 tp -81.76 -7.88 59.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.174 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -57.03 -45.57 83.03 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.903 -0.498 . . . . 1.0 112.149 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -60.36 -49.59 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 118.692 -1.203 . . . . 1.0 110.989 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.68 -39.97 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 1.0 111.318 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -62.4 -40.96 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.214 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.6 t30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 1.0 110.474 179.441 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.505 2.153 0 N-CA-C 113.958 0.714 . . . . 1.0 113.958 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.15 -46.37 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-O 123.589 1.662 . . . . 1.0 108.317 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.6 -40.7 88.35 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.182 -1.407 . . . . 1.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.02 -41.51 99.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.748 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.16 -40.28 94.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.398 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.984 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.0 t80 -61.0 -46.43 90.79 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.38 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.15 -41.71 99.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.6 p -66.57 -35.13 79.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.634 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.91 -36.25 92.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.7 mt -61.63 -41.36 97.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.701 0.751 . . . . 1.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.61 -39.75 95.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.995 -0.682 . . . . 1.0 110.123 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 m -70.82 -37.16 73.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.551 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LEU . 56.8 m95 -63.24 -34.84 78.54 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.484 0.55 . . . . 1.0 112.484 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.22 -44.98 84.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.05 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.079 0.942 . . . . 1.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.53 -34.68 70.26 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 113.663 -1.608 . . . . 1.0 111.719 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 39' ' ' TRP . 33.3 tp -82.14 -7.95 59.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.181 -0.918 . . . . 1.0 110.776 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -52.84 -42.33 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.097 0.777 . . . . 1.0 113.097 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.87 -49.18 78.73 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.109 -1.036 . . . . 1.0 111.578 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -67.53 -38.36 84.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 1.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -64.26 -41.33 96.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.534 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.499 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo . . . . . 0 N--CA 1.485 0.975 0 N-CA-C 112.645 0.21 . . . . 1.0 112.645 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.95 -41.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 121.54 0.686 . . . . 1.0 109.657 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.87 -42.15 99.65 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.853 -1.067 . . . . 1.0 111.297 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -65.43 -40.44 93.32 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.26 0.466 . . . . 1.0 112.26 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.06 -42.17 85.18 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.781 -0.368 . . . . 1.0 111.409 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 32' ' ' TYR . 40.2 pt -68.07 -41.71 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.028 -0.669 . . . . 1.0 109.8 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' HG13 ' A' ' 31' ' ' ILE . 91.5 t80 -59.78 -47.19 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 1.0 110.447 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.448 . . . . 1.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 t -62.97 -42.42 99.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.72 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.64 -37.96 95.53 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.893 -0.67 . . . . 1.0 111.537 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.46 -42.33 98.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.748 0.774 . . . . 1.0 110.195 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.23 -43.23 99.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.248 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -70.08 -35.65 74.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.122 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 41.1 m0 -58.89 -34.41 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.801 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.03 -42.01 75.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.219 -0.593 . . . . 1.0 109.932 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.294 1.045 . . . . 1.0 110.404 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -71.83 -34.11 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.365 -1.743 . . . . 1.0 110.938 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.6 tp -81.88 -8.09 59.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.926 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -51.43 -42.77 61.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -60.5 -50.14 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.123 -1.031 . . . . 1.0 110.871 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.96 -39.37 87.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.109 0.48 . . . . 1.0 110.781 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -62.16 -40.79 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.46 179.645 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.698 0.207 . . . . 1.0 112.278 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.38 -43.2 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.0 110.021 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.87 -41.62 99.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.936 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.28 -41.03 98.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.295 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.91 -41.35 87.26 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.769 -0.373 . . . . 1.0 110.307 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.5 -43.42 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.603 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.44 -47.92 83.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.75 -43.01 99.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.43 . . . . 1.0 110.084 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -63.17 -42.9 99.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.89 -38.21 95.77 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.585 -0.606 . . . . 1.0 111.585 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.548 0.674 . . . . 1.0 110.382 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -62.13 -43.32 99.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.327 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 p -71.0 -34.27 71.19 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.558 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.8 m0 -60.16 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.055 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.95 -40.0 75.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.078 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.73 -41.84 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 118.875 -1.13 . . . . 1.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.57 -34.93 67.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 113.842 -1.526 . . . . 1.0 110.995 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.22 -6.78 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.242 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -51.09 -42.23 60.5 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.05 -49.85 75.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 119.422 -0.911 . . . . 1.0 110.761 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.11 -41.05 95.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.116 0.484 . . . . 1.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -61.55 -42.78 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.61 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.253 179.641 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo . . . . . 0 N--CA 1.496 1.667 0 N-CA-C 113.621 0.585 . . . . 1.0 113.621 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.81 -45.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.607 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.34 -42.08 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.179 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.98 -40.71 97.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.687 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.32 -40.49 89.95 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.2 -43.54 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.44 -47.15 87.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.454 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.97 -43.04 99.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 1.0 110.334 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 m -62.59 -41.93 99.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.577 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.72 -37.75 94.76 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.015 -0.612 . . . . 1.0 111.693 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.8 -42.33 98.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.304 0.552 . . . . 1.0 110.892 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.27 -41.26 97.0 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.59 -40.71 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 1.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.549 ' NE1' HD21 ' A' ' 43' ' ' LEU . 52.4 t-105 -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.416 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 43' ' ' LEU . 65.6 tttm -58.61 -30.7 67.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.007 -178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.91 -45.21 93.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 117.802 -1.559 . . . . 1.0 108.032 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -63.95 -17.57 63.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.196 -1.366 . . . . 1.0 110.942 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.549 HD21 ' NE1' ' A' ' 39' ' ' TRP . 91.8 mt -82.59 -6.93 59.62 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -56.89 -45.51 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.34 -49.8 76.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.175 -1.01 . . . . 1.0 110.636 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -66.91 -39.9 87.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.506 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -62.01 -40.62 96.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.383 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.079 179.516 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.984 0.327 . . . . 1.0 111.445 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.44 0.638 . . . . 1.0 109.901 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.32 -42.15 99.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.678 -1.146 . . . . 1.0 110.42 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.73 -42.68 95.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.183 -0.607 . . . . 1.0 111.554 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.8 -44.67 80.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 1.0 112.118 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.32 -41.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 119.673 -0.811 . . . . 1.0 110.322 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.72 -45.44 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.904 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.4 -41.7 98.76 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 1.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.1 m -61.88 -42.9 99.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.566 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.68 94.62 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.985 -0.626 . . . . 1.0 111.598 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.05 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.534 0.667 . . . . 1.0 110.113 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.07 -42.96 99.79 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -70.2 -34.59 73.12 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.493 0.663 . . . . 1.0 110.96 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.724 ' NE1' HD13 ' A' ' 43' ' ' LEU . 74.3 t-105 -57.57 -38.98 75.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 1.0 111.377 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.43 -42.15 81.85 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -63.77 -39.74 94.98 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.113 0.959 . . . . 1.0 110.928 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.82 -32.61 62.02 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.648 -1.615 . . . . 1.0 111.02 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.724 HD13 ' NE1' ' A' ' 39' ' ' TRP . 14.5 tp -81.12 -5.97 58.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.658 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 m -53.91 -44.32 70.46 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.778 0.659 . . . . 1.0 112.778 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.55 -51.39 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 118.806 -1.158 . . . . 1.0 110.935 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -65.12 -40.64 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.947 0.403 . . . . 1.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.94 -41.28 97.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.62 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 48' ' ' ASN . 6.1 m120 . . . . . 0 C--N 1.331 -0.22 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.245 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.495 1.605 0 N-CA-C 113.239 0.438 . . . . 1.0 113.239 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -71.24 -35.66 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.413 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.7 -41.06 98.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.381 . . . . 1.0 110.396 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.5 -40.9 98.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.97 -40.69 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.46 -43.71 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.177 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 89.4 t80 -61.06 -46.13 91.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.989 0.423 . . . . 1.0 110.712 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.27 -43.13 98.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.217 0.532 . . . . 1.0 110.425 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -61.71 -39.66 92.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.126 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.86 -40.7 99.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.165 -0.541 . . . . 1.0 111.806 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 9.9 mp -61.66 -41.45 97.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.958 0.879 . . . . 1.0 111.1 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.26 -40.21 96.77 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.77 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -71.77 -35.63 70.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.269 0.557 . . . . 1.0 110.942 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 47.7 m0 -59.31 -33.14 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.718 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.27 -41.01 75.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.895 -0.722 . . . . 1.0 109.557 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -62.81 -46.38 88.24 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.653 -1.219 . . . . 1.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.97 -35.0 78.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.555 -1.657 . . . . 1.0 111.209 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' TRP . 94.6 mt -81.56 -6.5 59.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.224 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -56.97 -45.8 82.63 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.951 -0.468 . . . . 1.0 112.228 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.03 -49.7 76.89 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.604 -0.838 . . . . 1.0 110.846 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.05 -41.05 91.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.135 0.493 . . . . 1.0 111.339 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -62.04 -40.59 96.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.643 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 C--O 1.236 0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.238 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.788 0.245 . . . . 1.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.24 -43.03 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.199 0.523 . . . . 1.0 109.867 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.08 -41.68 98.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.275 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' HD13 ' A' ' 33' ' ' LEU . 99.6 mm-40 -64.43 -42.99 95.71 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.806 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.92 -40.09 95.67 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.179 -0.675 . . . . 1.0 109.179 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.93 -44.85 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 119.14 -1.024 . . . . 1.0 110.432 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -59.17 -46.25 88.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.193 -0.603 . . . . 1.0 110.312 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 29' ' ' GLN . 8.2 mp -62.25 -40.69 97.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.259 0.552 . . . . 1.0 110.404 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 m -67.08 -38.24 85.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.76 0.791 . . . . 1.0 110.436 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.29 -38.5 95.96 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -42.45 98.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.631 0.715 . . . . 1.0 110.063 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -64.17 -41.34 97.16 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.242 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -71.5 -38.04 71.2 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.407 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.1 m0 -58.7 -36.33 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 1.0 112.246 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.79 -40.89 66.69 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.512 -0.875 . . . . 1.0 109.552 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.58 -44.15 96.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.025 0.917 . . . . 1.0 111.34 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -72.69 -35.66 67.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.947 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.64 -5.06 59.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 1.0 112.484 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.64 -44.9 81.75 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.789 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.24 -48.82 80.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.085 -1.046 . . . . 1.0 110.316 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.128 0.49 . . . . 1.0 111.011 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -62.25 -41.05 98.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.82 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.422 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.494 1.53 0 CA-C-O 120.658 0.191 . . . . 1.0 111.931 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.08 -41.99 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.423 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.376 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.42 -40.42 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.895 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -67.28 -41.09 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.6 -43.44 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.79 -46.41 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.155 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.46 -42.28 98.61 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.879 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.23 -36.57 83.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.376 -0.529 . . . . 1.0 110.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -65.48 -38.11 94.46 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.625 -0.798 . . . . 1.0 111.451 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.02 -42.03 98.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.601 0.7 . . . . 1.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -63.09 -43.77 97.6 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.569 -0.453 . . . . 1.0 110.457 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -70.68 -36.67 73.42 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.292 0.568 . . . . 1.0 111.32 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.0 m0 -58.64 -33.92 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 111.51 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.8 -41.83 78.43 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.859 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.62 -40.07 93.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.35 1.072 . . . . 1.0 110.441 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -75.7 -34.06 60.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 113.177 -1.828 . . . . 1.0 111.403 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' TRP . 12.9 tp -82.25 -6.09 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.204 1.001 . . . . 1.0 111.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -57.68 -45.6 85.4 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.067 -0.396 . . . . 1.0 111.559 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.12 -51.08 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.393 -0.923 . . . . 1.0 110.441 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -67.92 -39.25 83.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 1.0 111.713 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE3' ' ND2' ' A' ' 48' ' ' ASN . 34.1 t90 -63.47 -39.75 95.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.685 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.622 ' ND2' ' CE3' ' A' ' 47' ' ' TRP . 9.9 m120 . . . . . 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.93 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.74 -37.91 89.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -114.4 126.62 55.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.491 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.52 151.7 34.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.59 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -114.0 142.16 46.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -64.43 -40.1 95.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.28 151.37 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.561 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.17 -45.05 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.85 178.36 48.43 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.24 149.13 51.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.697 0.284 . . . . 1.0 110.505 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -50.1 168.31 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.137 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' O ' ' OG1' ' A' ' 15' ' ' THR . 22.4 Cg_exo -61.03 144.57 99.52 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.672 1.581 . . . . 1.0 112.126 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -61.85 -33.29 73.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.039 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.2 -41.84 98.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 12' ' ' PRO . 50.3 p -65.32 -34.01 77.33 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.48 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.5 146.46 46.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.229 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -95.66 109.48 21.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.713 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.89 -39.35 96.47 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 144.53 55.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 1.0 110.706 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.47 -39.65 92.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.21 159.23 42.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -139.24 25.57 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.779 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 24' ' ' SER . 90.0 mt -63.19 -42.45 99.34 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.771 -0.372 . . . . 1.0 110.407 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 2.2 m 153.79 18.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.783 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.32 -50.65 63.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.94 -178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 41.2 Cg_exo -54.06 -44.99 44.37 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.632 1.555 . . . . 1.0 112.247 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.76 -43.76 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.58 -41.79 99.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.908 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.61 -41.61 98.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.496 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -66.38 -41.43 89.43 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.67 -43.7 93.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.036 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.107 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.14 -45.99 92.39 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 120.279 -0.568 . . . . 1.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.9 tp -63.34 -41.85 98.91 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.626 0.727 . . . . 1.0 110.674 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -67.51 -37.67 83.15 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.771 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.62 -39.13 95.28 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.37 -42.21 98.34 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 117.371 0.586 . . . . 1.0 110.279 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.8 -42.71 98.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.419 -0.512 . . . . 1.0 109.891 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.1 t -70.83 -34.82 72.08 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.899 -0.591 . . . . 1.0 111.211 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -57.05 -38.81 73.78 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.589 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.29 -40.2 70.77 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.594 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -62.08 -41.14 97.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.898 0.856 . . . . 1.0 111.466 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.87 -32.43 65.41 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.944 -1.48 . . . . 1.0 111.024 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.2 mt -82.96 -5.28 59.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.597 -0.729 . . . . 1.0 112.149 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -52.14 -43.92 64.28 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.94 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.88 -49.71 76.36 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.323 -0.951 . . . . 1.0 110.917 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.37 -40.45 89.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -62.4 -41.68 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.623 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -63.48 -40.84 98.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -94.87 110.86 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.565 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' H1 ' ' HB1' ' A' ' 7' ' ' ALA . 66.7 mtt . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.75 -25.03 67.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.91 -34.54 78.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.055 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.75 136.36 54.47 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.17 0.51 . . . . 1.0 111.005 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -66.68 -40.51 88.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.822 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -63.23 -39.79 95.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.675 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.479 ' HB1' ' H1 ' ' A' ' 1' ' ' MET . . . -62.76 -39.35 93.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.025 0.441 . . . . 1.0 110.372 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 1' ' ' MET . 74.9 t -63.12 -45.76 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.405 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.21 -169.78 53.08 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.46 150.08 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.806 0.336 . . . . 1.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -125.48 82.16 63.43 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.427 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -61.53 144.94 98.17 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.426 2.084 . . . . 1.0 111.919 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -72.13 147.06 47.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.673 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.2 tp -110.63 126.04 54.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.752 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.9 p -111.56 1.29 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.778 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.1 p -61.33 -32.64 72.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.432 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -91.21 2.08 56.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.078 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.7 161.45 52.73 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.16 -1.176 . . . . 1.0 110.16 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.57 149.09 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.977 0.418 . . . . 1.0 111.355 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.77 -36.84 83.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.73 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.8 t -120.36 132.61 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.002 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.11 -41.59 94.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.76 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.29 119.54 36.67 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.97 0.414 . . . . 1.0 111.458 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.436 ' H ' ' HD2' ' A' ' 26' ' ' PRO . 17.5 m -146.33 -84.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.149 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.611 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -50.26 -49.68 74.94 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 116.286 -0.415 . . . . 1.0 112.062 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.4 Cg_exo -53.87 -42.65 64.82 Favored 'Trans proline' 0 N--CA 1.498 1.756 0 C-N-CA 121.748 1.632 . . . . 1.0 111.829 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.89 -43.3 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.39 -41.71 98.87 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.801 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.08 -40.98 97.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.304 -0.558 . . . . 1.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -66.85 -41.2 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.0 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.51 -43.75 96.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.592 -0.443 . . . . 1.0 109.831 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.39 -46.49 89.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.012 0.434 . . . . 1.0 110.845 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.52 -42.16 99.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.593 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' HA ' ' HE ' ' A' ' 37' ' ' ARG . 78.1 p -66.74 -38.1 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.504 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.76 -40.29 97.28 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.29 -42.25 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 122.199 -0.589 . . . . 1.0 110.81 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 34' ' ' SER . 88.7 mtm180 -63.39 -40.44 97.22 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.946 -0.702 . . . . 1.0 109.851 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.1 p -71.48 -31.85 67.59 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-O 122.343 1.068 . . . . 1.0 110.13 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.763 ' NE1' HD13 ' A' ' 43' ' ' LEU . 76.2 t-105 -61.21 -37.37 82.76 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.426 -1.261 . . . . 1.0 111.059 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.01 -37.81 77.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 119.413 -0.327 . . . . 1.0 110.137 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -64.04 -45.34 89.27 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 118.328 -1.349 . . . . 1.0 109.491 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -69.18 -33.1 72.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 113.289 -1.778 . . . . 1.0 111.132 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD13 ' NE1' ' A' ' 39' ' ' TRP . 13.0 tp -81.81 -7.78 59.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.281 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.6 p -50.75 -44.02 58.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.489 0.552 . . . . 1.0 112.489 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -60.24 -49.63 76.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.483 -0.887 . . . . 1.0 111.249 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -66.67 -40.42 88.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.983 0.42 . . . . 1.0 110.865 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -62.05 -41.98 98.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.581 -0.736 . . . . 1.0 111.836 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.14 -41.16 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -89.95 112.13 23.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.654 -179.727 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.401 -0.592 . . . . 1.0 109.401 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.01 151.32 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.469 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.97 -40.17 91.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.631 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.53 141.68 55.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.517 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -66.28 -40.8 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.401 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -141.06 156.06 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.514 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.18 90.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.389 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.89 135.66 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.26 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.65 169.58 47.15 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -62.56 -43.0 99.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 1.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.609 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 1.7 ttt180 -162.02 -46.25 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.274 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.609 ' CD ' ' H ' ' A' ' 11' ' ' ARG . 22.8 Cg_exo -62.18 146.56 95.96 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.27 1.98 . . . . 1.0 112.027 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -65.26 147.29 53.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.613 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.8 -41.73 99.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.2 158.54 41.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.72 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 p -155.11 163.05 40.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.467 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.48 140.73 58.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.442 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.05 169.05 41.18 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 141.85 56.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.928 0.394 . . . . 1.0 110.636 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -138.74 147.51 42.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.415 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -133.77 159.61 42.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.757 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -134.58 24.41 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.454 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 24' ' ' SER . 54.2 tp -63.05 -42.78 99.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.494 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.9 m 156.41 19.14 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.968 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.624 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -50.0 -49.45 74.74 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.041 -178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 41.2 Cg_exo -54.33 -47.11 28.69 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.923 1.749 . . . . 1.0 113.254 -178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.5 m -71.54 -37.29 63.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.32 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.14 -41.47 99.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.863 0.363 . . . . 1.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.27 -41.56 99.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.744 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -67.08 -40.61 87.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 1.0 110.61 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.33 -41.9 92.42 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 CA-C-O 121.087 0.47 . . . . 1.0 109.741 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 36' ' ' LEU . 90.6 t80 -62.68 -45.75 91.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.943 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.11 -42.41 99.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.8 m -64.18 -38.86 92.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.405 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.535 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.61 -38.37 95.6 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 120.771 -0.728 . . . . 1.0 111.405 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 32' ' ' TYR . 89.5 mt -61.9 -41.3 97.73 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 117.793 0.796 . . . . 1.0 110.392 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -64.24 -42.1 96.68 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.234 -0.586 . . . . 1.0 110.788 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.6 p -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.421 178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.535 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.5 m0 -60.07 -35.15 74.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.137 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.61 -39.74 77.56 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.312 -0.955 . . . . 1.0 109.589 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.53 -43.82 96.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.157 0.979 . . . . 1.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -72.9 -35.42 67.1 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 113.532 -1.667 . . . . 1.0 111.139 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.78 -5.42 59.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.567 -0.742 . . . . 1.0 112.242 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 m -52.1 -43.41 63.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.836 0.309 . . . . 1.0 111.836 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.38 -49.49 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.201 -1.0 . . . . 1.0 110.371 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.0 -44.86 95.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.139 0.495 . . . . 1.0 110.895 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -63.11 -41.25 99.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 1.0 111.746 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -63.45 -40.76 98.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -90.15 110.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.676 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.581 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.21 89.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.241 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -62.02 136.1 57.82 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.75 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -117.04 133.69 55.69 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -95.28 133.06 39.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.155 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.02 86.1 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.1 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.1 131.53 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.121 0.486 . . . . 1.0 111.108 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.32 -178.09 45.71 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -128.68 149.07 50.83 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 46.57 72.54 1.22 Allowed Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.417 -0.513 . . . . 1.0 109.909 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -62.0 143.66 95.42 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.658 2.239 . . . . 1.0 111.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.5 p -76.82 162.17 27.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.831 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.9 mt -107.42 131.51 54.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.291 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.3 p -67.35 -33.03 74.39 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.715 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.0 t -62.19 -43.59 98.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.666 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -95.98 109.44 21.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 1.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.83 172.67 44.8 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.886 -0.885 . . . . 1.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.4 144.47 57.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.227 0.537 . . . . 1.0 111.142 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.65 -41.21 92.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.037 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 p -136.14 138.92 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.327 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -69.76 -40.57 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.623 -0.717 . . . . 1.0 112.294 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 24' ' ' SER . 87.9 mt -114.94 128.65 56.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER 156.05 19.58 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.65 179.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -48.65 -49.68 64.03 Favored Pre-proline 0 C--N 1.327 -0.413 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.98 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.608 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 34.4 Cg_exo -55.2 -42.78 65.36 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.561 1.507 . . . . 1.0 111.951 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.6 -43.66 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.774 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.59 -40.53 97.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.447 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.34 -41.11 96.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.012 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.48 -41.04 85.2 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.411 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.83 -44.03 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.801 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.36 -46.52 89.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 1.0 110.494 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.56 -43.89 97.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 1.0 110.288 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -65.04 -43.19 93.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.554 -0.748 . . . . 1.0 111.193 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.39 -34.6 90.4 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.85 -42.18 99.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.474 0.637 . . . . 1.0 109.828 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -63.13 -40.62 98.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.978 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.9 p -70.96 -34.04 71.05 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.035 0.445 . . . . 1.0 111.146 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.429 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -56.23 -42.63 77.59 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.509 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -61.71 -44.22 97.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.531 1.158 . . . . 1.0 110.326 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -67.7 -33.97 75.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 112.722 -2.035 . . . . 1.0 110.537 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.09 -4.48 56.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.362 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 p -51.57 -44.4 62.73 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.335 0.495 . . . . 1.0 112.335 -176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -61.15 -50.95 71.12 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 119.406 -0.917 . . . . 1.0 111.315 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -65.46 -40.56 93.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 1.0 110.77 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -61.0 -44.2 97.76 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.264 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' O ' ' CD2' ' A' ' 50' ' ' PHE . 6.8 m120 -63.37 -41.56 98.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.139 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.16 -18.25 61.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.449 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' CD2' ' O ' ' A' ' 48' ' ' ASN . 91.2 m-85 . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.809 -1.091 . . . . 1.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 108.911 -0.774 . . . . 1.0 108.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.94 152.46 38.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.037 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.637 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 80.1 tt0 -60.98 143.9 54.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.566 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.637 ' HB3' ' O ' ' A' ' 3' ' ' GLU . . . 79.87 -30.39 0.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.69 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -85.56 -12.08 52.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -64.28 -39.34 93.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.619 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' HB1' ' CD2' ' A' ' 10' ' ' PHE . . . -148.37 149.17 31.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.506 -0.315 . . . . 1.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.38 132.64 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.69 4.75 82.43 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.59 ' CD2' ' HB1' ' A' ' 7' ' ' ALA . 97.1 m-85 -103.85 8.39 37.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.582 0.229 . . . . 1.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -134.29 77.28 60.8 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.532 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -60.39 146.14 97.27 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.662 2.241 . . . . 1.0 112.673 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -60.43 -39.89 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.118 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.8 mt -103.13 132.05 49.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.0 m -63.56 -44.52 93.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -155.55 163.09 40.44 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.758 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 18' ' ' GLY . 48.2 p-10 -65.78 -31.54 72.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.864 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 17' ' ' ASP . . . -160.84 170.07 36.64 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.07 144.02 57.26 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.407 0.146 . . . . 1.0 110.668 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 23' ' ' LEU . 55.1 mp0 -65.25 -37.94 88.8 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.978 0.418 . . . . 1.0 110.605 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.73 -45.22 97.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.876 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.07 -37.7 86.45 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.64 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 25' ' ' ALA . 90.4 mt -106.34 127.18 53.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.799 0.333 . . . . 1.0 110.707 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -58.14 24.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.001 -0.545 . . . . 1.0 112.457 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -49.92 -48.08 78.96 Favored Pre-proline 0 CA--C 1.532 0.275 0 N-CA-C 112.297 0.48 . . . . 1.0 112.297 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.8 Cg_exo -52.88 -40.93 73.83 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.827 1.684 . . . . 1.0 112.165 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.08 -43.17 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.73 -41.5 99.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.713 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.15 -40.37 97.39 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.119 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.39 -39.52 89.1 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.245 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.5 mt -64.31 -44.4 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.93 -0.396 . . . . 1.0 109.93 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.97 -47.77 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.15 -42.07 99.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.875 0.369 . . . . 1.0 110.881 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.2 p -68.68 -37.75 79.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.221 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.557 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.66 -41.82 88.76 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 120.8 -0.714 . . . . 1.0 111.538 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.6 tp -61.32 -42.12 98.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.517 0.659 . . . . 1.0 110.526 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -64.23 -41.88 96.82 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.382 -0.527 . . . . 1.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.2 t -72.89 -36.57 67.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.809 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.557 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.4 m0 -59.9 -37.79 80.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.82 -44.28 94.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 119.558 -0.857 . . . . 1.0 110.414 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -64.34 -40.24 95.49 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -81.88 -33.3 30.61 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.498 -0.774 . . . . 1.0 111.817 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' TRP . 45.8 tp -79.91 -26.33 40.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.613 0.968 . . . . 1.0 113.613 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.7 p -59.34 -45.05 92.46 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.392 -0.817 . . . . 1.0 111.571 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.13 -46.64 88.13 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 119.782 -0.767 . . . . 1.0 111.7 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -62.05 -43.18 99.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.939 -0.573 . . . . 1.0 111.446 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -73.49 -43.83 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.799 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -63.9 -42.44 97.44 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.904 0.383 . . . . 1.0 110.178 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -96.04 110.11 22.4 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.897 -1.049 . . . . 1.0 109.872 -179.556 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.94 83.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.41 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.44 -36.5 84.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.362 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.53 87.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -89.58 125.93 35.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -139.33 155.74 47.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.464 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.16 141.05 58.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.552 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.542 HG13 ' N ' ' A' ' 9' ' ' GLY . 9.5 p -63.42 -43.5 98.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.077 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.542 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -106.8 132.4 11.12 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.03 -0.828 . . . . 1.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -62.28 -42.89 99.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.994 0.426 . . . . 1.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.9 ttt85 -138.64 78.56 31.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 14' ' ' LEU . 49.1 Cg_exo -53.36 -38.05 82.04 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.649 2.233 . . . . 1.0 112.293 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER 32.44 -89.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.619 0.574 . . . . 1.0 111.075 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 12' ' ' PRO . 38.5 tp -111.88 125.38 53.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.2 p -102.02 -1.84 30.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.541 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.9 m -70.96 147.08 49.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.48 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.15 -18.9 64.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.41 162.16 50.05 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.214 -0.754 . . . . 1.0 111.214 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.85 152.24 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.833 0.349 . . . . 1.0 110.589 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.31 142.14 58.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.02 -24.54 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.763 -0.653 . . . . 1.0 111.285 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.97 -40.47 93.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.661 -0.415 . . . . 1.0 110.781 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 23' ' ' LEU . 11.0 mp -63.01 -41.7 99.64 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.647 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -65.33 102.72 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.07 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -73.45 -43.79 7.2 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.548 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 34.1 Cg_exo -58.18 -25.07 70.05 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 123.628 2.885 . . . . 1.0 113.595 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.58 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.141 -0.624 . . . . 1.0 109.578 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.05 -41.81 99.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.823 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.59 -41.43 96.26 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.526 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.26 -42.08 93.61 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.919 -0.712 . . . . 1.0 109.652 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -43.05 97.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.88 -46.18 91.65 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 119.896 -0.722 . . . . 1.0 110.054 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.13 -41.26 99.28 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 120.958 0.408 . . . . 1.0 110.418 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.5 p -67.98 -34.94 77.49 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -67.36 -38.39 91.25 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.483 -1.047 . . . . 1.0 110.483 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.64 -42.55 99.06 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 122.092 -0.652 . . . . 1.0 110.364 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.44 -41.45 98.67 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.301 -0.559 . . . . 1.0 110.616 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -71.32 -36.17 71.48 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.025 0.441 . . . . 1.0 111.537 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.4 m0 -58.9 -37.23 76.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.978 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.24 -41.08 83.39 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.677 -0.809 . . . . 1.0 109.975 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -64.45 -39.32 93.6 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.069 -1.052 . . . . 1.0 110.992 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -74.04 -36.57 64.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 114.152 -1.385 . . . . 1.0 111.519 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 39' ' ' TRP . 10.8 mp -83.97 -5.37 59.21 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.6 -0.727 . . . . 1.0 112.338 178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.3 m -51.56 -43.17 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.105 -0.372 . . . . 1.0 111.625 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.41 -49.29 78.15 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 118.891 -1.124 . . . . 1.0 110.295 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -62.16 -44.67 96.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 111.316 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.6 t-105 -62.98 -40.82 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.53 -0.759 . . . . 1.0 111.998 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -62.9 -41.07 99.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.42 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -91.47 111.37 22.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.56 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.684 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.328 -0.619 . . . . 1.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.95 -38.56 88.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.95 144.2 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.469 ' O ' ' O ' ' A' ' 8' ' ' VAL . 96.8 m-70 -65.66 -41.67 92.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.635 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 44.19 -129.63 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.398 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.56 -38.55 89.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.506 0.558 . . . . 1.0 112.506 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 5' ' ' HIS . 50.1 t -124.61 131.53 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.027 0.442 . . . . 1.0 111.827 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.81 -171.58 42.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -142.6 152.71 42.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 1.0 110.52 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -173.09 83.79 0.41 Allowed Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.42 -37.09 81.54 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.5 2.134 . . . . 1.0 111.952 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.413 ' C ' HD22 ' A' ' 14' ' ' LEU . 17.3 m -70.14 148.63 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.42 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.9 mm? -97.37 132.1 43.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.837 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.1 p -82.16 168.8 17.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.978 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.96 0.93 3.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -92.32 -0.15 57.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.941 0.4 . . . . 1.0 110.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.27 164.16 47.87 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.344 -0.703 . . . . 1.0 111.344 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.31 148.11 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.722 0.296 . . . . 1.0 111.047 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' LEU . 97.3 mt-10 59.65 39.09 21.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.274 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.0 -33.65 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.186 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.48 -35.91 82.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.976 -0.557 . . . . 1.0 110.7 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.604 ' C ' ' H ' ' A' ' 25' ' ' ALA . 40.8 tp -104.98 125.92 51.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.315 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.3 p -56.81 26.92 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.503 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.604 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -50.2 -48.18 80.44 Favored Pre-proline 0 C--N 1.33 -0.249 0 O-C-N 122.148 -0.345 . . . . 1.0 111.608 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 53.0 Cg_exo -52.66 -40.5 73.24 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.783 1.655 . . . . 1.0 111.887 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.44 -43.34 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.281 -0.637 . . . . 1.0 109.281 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.87 -41.54 97.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.66 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.32 -41.52 98.93 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.334 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.23 -40.15 90.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.198 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.98 -43.24 97.59 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 C-N-CA 120.599 -0.441 . . . . 1.0 109.813 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -62.05 -45.12 94.94 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 122.59 1.186 . . . . 1.0 109.462 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 33' ' ' LEU . 87.3 mt -62.88 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 119.014 -1.074 . . . . 1.0 110.668 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.1 m -66.73 -39.41 87.95 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 114.912 -1.04 . . . . 1.0 110.71 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.12 -38.36 95.86 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.8 tp -61.59 -42.65 99.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.26 0.53 . . . . 1.0 110.009 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -62.89 -41.15 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.432 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.3 t -70.38 -37.44 74.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.902 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 40.6 m0 -58.33 -33.87 69.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.895 -0.593 . . . . 1.0 112.156 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.89 -40.56 80.58 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.166 -0.614 . . . . 1.0 110.103 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.72 -44.31 96.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.351 1.072 . . . . 1.0 110.288 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -71.88 -33.5 68.41 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 113.13 -1.85 . . . . 1.0 111.254 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.2 tp -81.9 -6.87 59.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.132 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -56.68 -45.28 81.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.04 -49.59 77.08 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.113 -1.035 . . . . 1.0 110.802 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.54 -40.05 88.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.046 0.451 . . . . 1.0 111.032 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -63.41 -41.81 98.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.892 -0.595 . . . . 1.0 111.534 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -63.59 -40.89 98.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.467 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.59 -41.82 99.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.586 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 142.13 57.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.616 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.17 -41.01 90.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.531 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.03 151.22 25.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.588 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.435 ' O ' ' O ' ' A' ' 8' ' ' VAL . 74.1 m80 -66.49 -40.41 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.86 -39.47 93.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.098 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.75 95.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.486 -0.325 . . . . 1.0 111.277 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 5' ' ' HIS . 2.5 p -133.39 137.63 52.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 1.0 110.8 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.51 -173.82 40.76 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -75.05 142.74 43.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 1.0 110.52 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -148.69 65.87 8.63 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.617 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.46 157.34 53.15 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.771 2.314 . . . . 1.0 112.566 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -61.77 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.232 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.01 -44.01 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.684 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -63.32 -45.27 92.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.069 0.461 . . . . 1.0 110.317 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -76.86 163.16 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.68 . . . . 1.0 110.728 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -91.7 1.93 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.393 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.91 10.2 79.3 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.4 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.641 0.258 . . . . 1.0 110.53 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -114.86 134.6 55.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.064 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.481 HG22 ' N ' ' A' ' 23' ' ' LEU . 2.5 p -128.8 135.18 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.891 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.5 -35.27 79.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.633 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' HG22 ' A' ' 21' ' ' VAL . 97.1 mt -71.82 147.97 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.592 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.6 p -139.54 169.27 18.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.086 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.651 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -48.4 -52.11 45.74 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 112.847 0.684 . . . . 1.0 112.847 -177.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.6 Cg_exo -53.93 -42.32 67.68 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.595 1.53 . . . . 1.0 111.831 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.6 -42.69 90.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.5 -41.18 96.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.929 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.07 -40.95 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.394 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.88 -40.76 87.91 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 120.639 -0.424 . . . . 1.0 109.86 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.76 -44.45 98.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.68 -0.489 . . . . 1.0 109.68 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.6 t80 -60.35 -46.17 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.075 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.74 -47.62 84.41 Favored 'General case' 0 C--O 1.27 2.18 0 CA-C-O 124.394 2.045 . . . . 1.0 109.036 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -61.63 -35.86 79.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-N 113.973 -1.467 . . . . 1.0 110.072 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.54 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.79 -39.19 97.67 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.722 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.5 mt -61.49 -40.13 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.421 0.61 . . . . 1.0 110.237 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -63.5 -43.46 97.16 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.375 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.6 p -70.95 -34.71 71.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 43.4 m0 -60.43 -35.35 75.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.599 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.34 -42.63 78.02 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.893 -0.723 . . . . 1.0 109.308 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -61.34 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.12 0.962 . . . . 1.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -72.72 -35.13 67.5 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 113.502 -1.681 . . . . 1.0 111.465 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' TRP . 97.8 mt -83.41 -5.58 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.879 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.3 p -51.57 -43.41 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.73 -51.93 67.68 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.225 -0.99 . . . . 1.0 110.264 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.04 -44.62 96.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.273 0.559 . . . . 1.0 110.75 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -63.35 -40.62 97.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.402 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.86 -41.09 99.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.378 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -62.95 -41.44 99.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.582 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.09 -0.707 . . . . 1.0 109.09 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.62 -37.86 89.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.121 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 51.73 80.93 0.08 Allowed 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.622 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.64 153.49 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -111.71 137.27 49.84 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.588 -0.733 . . . . 1.0 110.25 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.96 -37.67 88.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.741 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.41 155.99 44.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.31 162.51 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.51 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.78 -162.56 26.49 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.014 -0.835 . . . . 1.0 111.014 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -104.37 116.73 32.64 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-O 120.878 0.37 . . . . 1.0 110.06 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -168.95 85.74 0.65 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.509 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.13 147.05 95.79 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.258 1.972 . . . . 1.0 111.913 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.2 p -154.55 163.41 40.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.34 -0.391 . . . . 1.0 109.98 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' O ' ' N ' ' A' ' 16' ' ' SER . 3.8 mm? -62.57 -41.6 99.03 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.02 -56.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.538 -0.755 . . . . 1.0 111.286 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.5 m -73.34 148.61 43.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.35 . . . . 1.0 110.236 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -89.69 3.25 53.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.248 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.69 173.16 13.46 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.398 -1.081 . . . . 1.0 110.398 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.66 148.57 39.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.024 0.44 . . . . 1.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.98 -39.54 90.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.663 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 23' ' ' LEU . 51.6 t -123.7 129.96 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.976 0.417 . . . . 1.0 110.645 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -104.4 5.27 34.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.368 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 24' ' ' SER . 83.2 mt -62.14 -42.81 99.61 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.176 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.1 p 156.19 19.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.753 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.6 -51.0 63.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.502 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 31.1 Cg_exo -53.35 -46.67 32.17 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.746 1.631 . . . . 1.0 113.232 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 m -72.09 -37.76 61.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 C-N-CA 119.867 -0.733 . . . . 1.0 110.643 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.06 -41.96 99.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -63.2 -39.36 94.4 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.319 0.387 . . . . 1.0 111.712 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -66.42 -38.54 87.68 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.92 -43.74 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.647 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -61.43 -44.02 97.85 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.079 -0.649 . . . . 1.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.99 -42.92 97.04 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.507 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -68.01 -36.78 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.564 -0.455 . . . . 1.0 110.182 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 -39.46 95.97 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.807 -0.917 . . . . 1.0 110.807 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.04 -42.36 99.1 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 117.566 0.683 . . . . 1.0 110.564 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.71 -42.05 98.01 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.1 p -71.53 -33.49 69.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.001 0.429 . . . . 1.0 110.446 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.601 ' NE1' HD13 ' A' ' 43' ' ' LEU . 67.3 t-105 -60.82 -38.86 86.87 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.397 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.12 -36.25 74.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.123 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.46 -38.29 90.59 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.182 -1.007 . . . . 1.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -80.26 -16.29 55.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 114.911 -1.041 . . . . 1.0 109.541 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.601 HD13 ' NE1' ' A' ' 39' ' ' TRP . 12.5 tp -83.04 -6.59 59.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.546 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.28 -43.98 79.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 119.051 -0.5 . . . . 1.0 111.927 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.79 -51.25 70.11 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.233 0.924 . . . . 1.0 110.87 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.72 -39.72 88.12 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.131 0.491 . . . . 1.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -63.23 -43.36 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.91 -0.586 . . . . 1.0 111.586 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -63.26 -41.54 99.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.72 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -63.26 -43.53 97.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.763 -1.113 . . . . 1.0 110.898 -179.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 141.61 58.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.141 0.496 . . . . 1.0 110.384 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.65 138.53 58.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.199 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.47 -35.86 80.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.878 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -113.82 143.97 43.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.751 -0.659 . . . . 1.0 111.229 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -117.52 126.27 52.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.505 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.15 -37.92 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.219 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.39 129.95 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.936 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.38 -172.91 42.41 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.677 -0.969 . . . . 1.0 110.677 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -87.33 125.54 34.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.155 0.502 . . . . 1.0 110.403 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -42.77 165.72 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.244 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -61.06 143.94 99.21 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.943 1.762 . . . . 1.0 111.448 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.7 p -79.49 160.37 26.58 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.313 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.75 -41.31 99.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.34 -0.615 . . . . 1.0 109.34 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -84.21 165.01 18.75 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 p -77.11 159.05 30.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 1.0 110.562 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.19 141.97 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.032 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.873 ' O ' HG12 ' A' ' 21' ' ' VAL . . . 77.28 20.89 74.39 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.65 -25.15 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 1.0 111.29 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -62.0 -33.41 74.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.436 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.873 HG12 ' O ' ' A' ' 18' ' ' GLY . 11.0 p -60.01 -26.67 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 121.112 -0.235 . . . . 1.0 111.23 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.679 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.2 mt -115.85 127.78 55.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.173 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 p -144.83 172.01 13.62 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.103 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -47.06 -51.89 37.63 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.501 0.556 . . . . 1.0 112.501 -177.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 35.3 Cg_exo -54.32 -40.36 83.02 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 121.388 1.392 . . . . 1.0 112.168 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.61 -42.79 87.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.34 -41.59 98.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.451 -0.795 . . . . 1.0 111.287 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.71 -41.84 98.03 Favored 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.868 -0.333 . . . . 1.0 110.963 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.77 -39.07 84.13 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.545 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.85 -43.39 97.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.014 -0.675 . . . . 1.0 109.262 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -61.27 -46.77 88.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.787 -0.365 . . . . 1.0 110.743 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 33' ' ' LEU . 89.1 mt -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.077 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.2 p -66.03 -35.84 81.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.575 -0.738 . . . . 1.0 109.666 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.81 -36.42 92.19 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.468 -1.053 . . . . 1.0 110.468 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.9 -43.42 98.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.141 -0.318 . . . . 1.0 110.141 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -62.66 -42.06 99.41 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.035 -0.666 . . . . 1.0 110.678 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -70.26 -35.43 73.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.191 0.519 . . . . 1.0 110.386 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.71 ' CH2' HD13 ' A' ' 43' ' ' LEU . 63.7 t90 -60.62 -37.4 81.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.478 -0.783 . . . . 1.0 111.646 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.68 -32.44 70.49 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.588 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -61.94 -44.41 96.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.907 1.23 . . . . 1.0 108.347 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.5 m170 -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.23 -1.804 . . . . 1.0 110.027 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.71 HD13 ' CH2' ' A' ' 39' ' ' TRP . 14.7 tp -81.53 -8.75 59.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.369 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.8 t -57.36 -45.93 83.89 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.44 0.533 . . . . 1.0 112.44 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.07 -48.2 81.28 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 118.367 -1.333 . . . . 1.0 110.85 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -62.34 -44.17 97.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.125 0.488 . . . . 1.0 110.5 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -61.03 -41.92 97.49 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.512 -0.767 . . . . 1.0 112.283 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.78 -40.57 96.99 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.538 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -94.99 110.05 22.0 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.188 0.518 . . . . 1.0 109.976 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.0 t80 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.773 -1.108 . . . . 1.0 110.261 -179.546 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 ttp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.455 -0.572 . . . . 1.0 109.455 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.62 155.52 47.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.06 0.457 . . . . 1.0 111.364 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.47 141.64 58.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.18 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -137.53 147.56 45.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.901 0.381 . . . . 1.0 110.655 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -65.7 -41.72 91.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.825 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.09 -41.83 97.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.105 0.479 . . . . 1.0 109.96 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.66 -38.5 91.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.509 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 4' ' ' ALA . 73.0 t -63.2 -44.95 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.232 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.8 177.07 51.58 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 111.112 -0.795 . . . . 1.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.31 141.17 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 1.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -169.64 73.43 0.68 Allowed Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.572 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.07 143.93 99.58 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 122.573 2.182 . . . . 1.0 112.166 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.9 p -66.68 -21.31 66.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.716 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 14' ' ' LEU . 90.0 mt -73.75 140.32 45.86 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.493 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p 54.77 169.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.857 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -75.16 161.61 29.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.478 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 17' ' ' ASP . 37.5 p-10 -93.12 -0.44 56.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.729 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.62 6.1 77.47 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.46 -0.656 . . . . 1.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.73 56.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.633 0.217 . . . . 1.0 110.45 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -119.15 128.23 54.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.13 0.491 . . . . 1.0 111.288 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.5 -43.86 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.221 -0.9 . . . . 1.0 110.431 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.95 -38.38 90.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.075 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.23 -43.13 99.52 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.311 -0.556 . . . . 1.0 109.549 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -60.73 101.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.821 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.609 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -74.06 -42.53 5.8 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-O 121.138 0.494 . . . . 1.0 110.647 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 35.6 Cg_exo -59.31 -24.87 76.24 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 123.703 2.935 . . . . 1.0 113.838 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.76 -45.12 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.219 -0.592 . . . . 1.0 110.429 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.6 mt -63.59 -41.7 98.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.837 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -65.23 -40.88 94.64 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -66.27 -38.94 89.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.396 -0.522 . . . . 1.0 110.385 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.4 mt -64.75 -43.76 96.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.403 -0.519 . . . . 1.0 111.191 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -61.73 -45.52 93.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.112 -0.635 . . . . 1.0 111.101 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.5 -41.83 98.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.862 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -62.58 -41.98 99.28 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.847 0.356 . . . . 1.0 110.483 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.77 94.52 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 121.247 -0.502 . . . . 1.0 111.984 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.0 -43.83 98.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 117.612 0.706 . . . . 1.0 111.044 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.3 mtm-85 -64.12 -41.05 97.39 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 119.775 -0.77 . . . . 1.0 110.529 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 m -71.22 -36.81 71.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.595 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.703 ' CZ2' HD22 ' A' ' 43' ' ' LEU . 20.6 t90 -60.91 -38.67 86.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.187 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.51 -42.34 96.2 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.221 -0.592 . . . . 1.0 110.653 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.32 -37.35 87.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.696 0.76 . . . . 1.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -80.08 -32.48 39.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.251 -1.34 . . . . 1.0 111.329 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.703 HD22 ' CZ2' ' A' ' 39' ' ' TRP . 39.5 tp -81.49 -13.44 58.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 1.0 112.184 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -58.3 -46.88 85.3 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 121.33 -0.856 . . . . 1.0 112.729 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.631 ' NH2' ' CZ ' ' A' ' 46' ' ' PHE . 74.0 ttp85 -59.81 -46.71 88.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.311 -0.956 . . . . 1.0 111.061 -177.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.631 ' CZ ' ' NH2' ' A' ' 45' ' ' ARG . 87.6 m-85 -66.33 -39.28 89.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.288 -0.869 . . . . 1.0 111.492 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -66.1 -40.87 91.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.779 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -63.32 -40.8 98.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.482 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.07 140.6 54.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.429 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 89.5 t80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.065 -0.969 . . . . 1.0 110.644 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.88 88.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.482 0.658 . . . . 1.0 110.597 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 56.8 mp0 -65.14 -41.25 94.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.832 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.85 153.46 28.27 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.411 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -65.63 -42.7 91.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.122 0.487 . . . . 1.0 110.687 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.489 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 53.0 tt0 -65.48 -39.21 91.68 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.76 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 6' ' ' GLN . . . 68.17 118.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.707 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 p -129.37 134.65 63.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.14 8.23 85.81 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.58 149.52 52.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.725 0.298 . . . . 1.0 110.594 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -162.4 168.36 10.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 1.0 110.121 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -54.78 -38.8 91.78 Favored 'Trans proline' 0 N--CA 1.498 1.759 0 C-N-CA 121.915 1.743 . . . . 1.0 111.891 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -64.77 -38.28 90.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.024 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.1 mm? -62.78 -41.85 99.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.58 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.3 p -66.34 -33.12 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.011 0.434 . . . . 1.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.6 m -86.83 -7.33 58.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.59 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 55.35 32.71 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.447 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.2 0.96 87.52 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.477 -0.649 . . . . 1.0 111.477 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 1.0 110.212 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -69.44 137.74 52.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.1 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.5 t -121.09 130.82 74.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 109.956 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.89 -43.18 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.067 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' SER . 38.5 tp -117.31 125.43 51.06 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.554 -0.293 . . . . 1.0 111.446 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.4 t 157.94 21.05 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.306 0.574 . . . . 1.0 109.58 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.627 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.83 -49.76 71.79 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.974 -177.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.627 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 45.2 Cg_exo -54.25 -44.0 53.44 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 121.71 1.607 . . . . 1.0 112.448 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.13 -43.34 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.06 -41.9 98.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.607 -0.724 . . . . 1.0 111.033 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -64.34 -41.27 96.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.669 -0.412 . . . . 1.0 110.687 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.75 -41.12 92.53 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.46 -43.35 96.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.11 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -60.74 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.609 -0.437 . . . . 1.0 110.701 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.0 -42.62 99.34 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.218 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -63.23 -32.6 74.04 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 39' ' ' TRP . . . -62.69 -36.2 92.95 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.07 -42.28 99.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.192 0.996 . . . . 1.0 110.667 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.92 -43.26 99.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.252 -0.579 . . . . 1.0 110.909 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 p -70.49 -36.22 73.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.366 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 47.3 m0 -60.73 -34.11 73.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.999 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.88 -40.91 73.65 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.123 -0.631 . . . . 1.0 110.183 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -61.68 -42.97 99.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.608 1.194 . . . . 1.0 110.828 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -71.62 -33.88 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 112.94 -1.936 . . . . 1.0 110.696 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.4 tp -81.76 -7.88 59.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.174 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -57.03 -45.57 83.03 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.903 -0.498 . . . . 1.0 112.149 -176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -60.36 -49.59 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 118.692 -1.203 . . . . 1.0 110.989 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -66.68 -39.97 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.153 0.502 . . . . 1.0 111.318 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -62.4 -40.96 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.214 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.56 -41.16 98.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.339 . . . . 1.0 110.474 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -91.65 106.48 18.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.125 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.938 -1.03 . . . . 1.0 110.409 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.13 142.85 56.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.673 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 96.9 mt-10 -133.26 146.19 51.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 3' ' ' GLU . . . 65.32 103.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.636 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -66.14 -40.71 90.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.601 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -71.45 134.4 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 1.0 110.701 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.3 149.11 37.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.6 t -121.64 130.46 74.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.755 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.84 -45.7 81.25 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 121.167 -0.54 . . . . 1.0 111.794 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -132.24 146.24 51.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.892 0.377 . . . . 1.0 110.945 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.27 160.22 0.73 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.367 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -71.03 151.41 61.81 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.775 2.317 . . . . 1.0 112.337 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.8 p -77.04 163.74 26.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.57 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -106.9 129.42 54.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.511 -0.313 . . . . 1.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.3 p -114.4 4.74 15.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 p -73.32 158.69 34.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 1.0 110.736 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -78.6 151.97 32.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.82 -5.55 66.63 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.64 141.33 55.41 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.244 -0.28 . . . . 1.0 110.244 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -166.84 91.68 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.69 133.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.9 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.52 -37.57 87.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.45 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.55 -43.2 99.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.701 0.286 . . . . 1.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.1 m -66.12 101.1 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.099 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.626 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -72.36 -42.56 8.98 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.41 176.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 31.5 Cg_exo -58.93 -26.18 80.14 Favored 'Trans proline' 0 N--CA 1.505 2.153 0 C-N-CA 124.05 3.167 . . . . 1.0 113.958 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -65.15 -46.37 91.24 Favored 'Isoleucine or valine' 0 C--O 1.248 0.992 0 CA-C-O 123.589 1.662 . . . . 1.0 108.317 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.6 -40.7 88.35 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 118.182 -1.407 . . . . 1.0 109.714 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.02 -41.51 99.57 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.44 -0.504 . . . . 1.0 110.748 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.16 -40.28 94.11 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.521 -0.472 . . . . 1.0 110.398 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.984 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.519 ' CE2' HD11 ' A' ' 36' ' ' LEU . 91.0 t80 -61.0 -46.43 90.79 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.689 -0.404 . . . . 1.0 110.38 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.15 -41.71 99.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.854 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.6 p -66.57 -35.13 79.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.634 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.91 -36.25 92.86 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.185 -0.766 . . . . 1.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 32' ' ' TYR . 90.7 mt -61.63 -41.36 97.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 117.701 0.751 . . . . 1.0 110.072 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.61 -39.75 95.15 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.995 -0.682 . . . . 1.0 110.123 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.0 m -70.82 -37.16 73.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.551 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' O ' ' N ' ' A' ' 43' ' ' LEU . 56.8 m95 -63.24 -34.84 78.54 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 112.484 0.55 . . . . 1.0 112.484 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -57.22 -44.98 84.23 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.926 -0.71 . . . . 1.0 110.353 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -62.05 -44.46 96.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 122.079 0.942 . . . . 1.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.53 -34.68 70.26 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 113.663 -1.608 . . . . 1.0 111.719 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 39' ' ' TRP . 33.3 tp -82.14 -7.95 59.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.181 -0.918 . . . . 1.0 110.776 -178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -52.84 -42.33 65.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.097 0.777 . . . . 1.0 113.097 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -58.87 -49.18 78.73 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.109 -1.036 . . . . 1.0 111.578 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -67.53 -38.36 84.1 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.925 0.393 . . . . 1.0 110.791 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -64.26 -41.33 96.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.534 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -62.83 -40.9 98.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.77 141.81 57.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.696 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.907 -1.044 . . . . 1.0 110.754 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 ttp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.82 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.74 136.95 53.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.438 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.34 144.57 56.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.515 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -110.87 138.37 47.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -75.33 141.22 43.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.743 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 146.17 55.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.288 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.1 m -116.72 131.0 70.66 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.76 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.85 -170.8 39.78 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.408 -1.077 . . . . 1.0 110.408 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -89.51 120.03 30.46 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.376 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -175.05 77.83 0.32 Allowed Pre-proline 0 C--N 1.332 -0.191 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.192 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.07 144.28 99.29 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.523 2.149 . . . . 1.0 111.933 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 m -72.63 146.41 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.682 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.96 141.14 42.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.495 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.833 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 46.7 p -66.04 -33.46 75.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.5 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.85 -34.44 75.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.727 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -87.85 113.37 23.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.9 -3.13 67.09 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.833 ' HB2' ' O ' ' A' ' 15' ' ' THR . . . -64.39 -38.47 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.997 0.427 . . . . 1.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -97.03 144.89 26.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.556 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 23' ' ' LEU . 48.7 t -121.08 131.26 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.694 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -99.28 -0.79 40.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.387 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 24' ' ' SER . 89.1 mt -106.7 129.19 54.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.732 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.3 p 156.56 18.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.247 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.25 -50.32 65.01 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 37.1 Cg_exo -54.68 -42.2 70.68 Favored 'Trans proline' 0 C--N 1.303 -1.858 0 C-N-CA 121.086 1.19 . . . . 1.0 112.645 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.3 t -68.95 -41.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 121.54 0.686 . . . . 1.0 109.657 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.87 -42.15 99.65 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.853 -1.067 . . . . 1.0 111.297 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -65.43 -40.44 93.32 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 112.26 0.466 . . . . 1.0 112.26 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.06 -42.17 85.18 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 120.781 -0.368 . . . . 1.0 111.409 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 32' ' ' TYR . 40.2 pt -68.07 -41.71 84.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.028 -0.669 . . . . 1.0 109.8 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' N ' HG13 ' A' ' 31' ' ' ILE . 91.5 t80 -59.78 -47.19 86.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 1.0 110.447 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.448 . . . . 1.0 110.276 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.4 t -62.97 -42.42 99.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.72 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.64 -37.96 95.53 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.893 -0.67 . . . . 1.0 111.537 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.46 -42.33 98.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.748 0.774 . . . . 1.0 110.195 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -62.23 -43.23 99.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.678 -0.409 . . . . 1.0 110.248 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -70.08 -35.65 74.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.122 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 41.1 m0 -58.89 -34.41 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.801 -179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.03 -42.01 75.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.219 -0.593 . . . . 1.0 109.932 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.294 1.045 . . . . 1.0 110.404 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -71.83 -34.11 69.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 113.365 -1.743 . . . . 1.0 110.938 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 39' ' ' TRP . 13.6 tp -81.88 -8.09 59.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 1.0 110.926 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.6 p -51.43 -42.77 61.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 -176.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -60.5 -50.14 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 119.123 -1.031 . . . . 1.0 110.871 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -66.96 -39.37 87.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.109 0.48 . . . . 1.0 110.781 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -62.16 -40.79 97.16 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -62.66 -40.97 98.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.46 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -94.79 110.92 22.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.6 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.47 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 ttp . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.55 140.87 56.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.062 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 52.5 mp0 -106.21 122.07 45.47 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.024 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.83 91.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 1.0 109.943 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -111.97 130.21 55.93 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -116.35 125.39 52.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.059 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.78 140.35 56.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.124 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 18.4 m -65.07 -40.2 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.343 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 8' ' ' VAL . . . -64.95 -33.4 87.12 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.61 -0.596 . . . . 1.0 111.61 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 8' ' ' VAL . 74.6 m-85 59.1 7.97 0.95 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.851 0.358 . . . . 1.0 110.13 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -146.71 71.71 12.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.452 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.38 143.46 99.48 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.587 2.192 . . . . 1.0 111.69 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 14' ' ' LEU . 85.3 p -87.3 -7.65 57.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.4 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 14' ' ' LEU . 10.8 mp -103.07 130.59 50.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.695 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.8 p -131.83 160.67 34.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.501 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -59.86 -41.71 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.058 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -67.64 137.73 55.82 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.727 -0.472 . . . . 1.0 109.727 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 21' ' ' VAL . . . 71.19 18.28 76.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.71 91.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.729 0.3 . . . . 1.0 111.196 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.43 -41.52 93.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.888 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 18' ' ' GLY . 31.1 m -124.85 130.54 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.597 -0.274 . . . . 1.0 110.474 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.81 -40.41 91.85 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.28 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 24' ' ' SER . 97.9 mt -95.73 -94.66 0.19 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.514 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.4 p 156.42 18.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.582 -0.735 . . . . 1.0 109.742 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.607 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.74 -50.23 68.47 Favored Pre-proline 0 CA--C 1.531 0.243 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.893 -177.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 40.5 Cg_exo -54.1 -45.15 43.14 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.59 1.527 . . . . 1.0 112.278 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.38 -43.2 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.0 110.021 178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.87 -41.62 99.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.936 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.28 -41.03 98.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.295 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.91 -41.35 87.26 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.769 -0.373 . . . . 1.0 110.307 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.5 -43.42 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.373 -0.531 . . . . 1.0 109.603 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.44 -47.92 83.53 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.67 -0.412 . . . . 1.0 110.552 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.75 -43.01 99.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.002 0.43 . . . . 1.0 110.084 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -63.17 -42.9 99.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.565 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.553 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -63.89 -38.21 95.77 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.585 -0.606 . . . . 1.0 111.585 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.548 0.674 . . . . 1.0 110.382 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -62.13 -43.32 99.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.327 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 p -71.0 -34.27 71.19 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.558 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 44.8 m0 -60.16 -33.56 72.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.055 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.95 -40.0 75.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.078 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.73 -41.84 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 118.875 -1.13 . . . . 1.0 111.214 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -72.57 -34.93 67.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 113.842 -1.526 . . . . 1.0 110.995 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.22 -6.78 59.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 1.0 111.242 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -51.09 -42.23 60.5 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.05 -49.85 75.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 119.422 -0.911 . . . . 1.0 110.761 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.11 -41.05 95.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.116 0.484 . . . . 1.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -61.55 -42.78 99.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.61 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -63.23 -40.75 98.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.253 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.91 -40.73 96.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 118.026 -0.987 . . . . 1.0 110.686 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.322 -0.622 . . . . 1.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.01 145.34 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.042 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.73 -40.43 95.31 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.764 0.316 . . . . 1.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.1 -3.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.804 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -66.41 -41.25 89.57 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.548 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 40.37 86.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.136 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 143.13 54.89 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.0 m -135.04 160.8 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 1.0 110.426 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.08 174.72 47.27 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -76.1 142.81 41.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.881 0.372 . . . . 1.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.2 mtt85 40.66 73.96 0.79 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 1.0 110.869 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' THR . 50.8 Cg_exo -54.45 -39.0 89.71 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.584 2.189 . . . . 1.0 112.239 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.4 m -61.17 -41.34 96.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.017 0.437 . . . . 1.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.6 -42.31 99.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.763 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 12' ' ' PRO . 88.5 m -121.51 128.44 52.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.085 0.469 . . . . 1.0 111.508 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -71.58 147.66 47.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.202 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.72 -34.51 78.04 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.95 0.881 . . . . 1.0 109.676 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.98 78.67 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 119.688 -1.244 . . . . 1.0 110.866 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.28 88.93 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.577 -0.367 . . . . 1.0 110.585 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.84 99.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.027 0.442 . . . . 1.0 110.765 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.77 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.843 -0.617 . . . . 1.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LEU . 97.3 mt-10 -66.24 -41.01 90.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.009 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' GLU . 41.2 tp 32.3 75.79 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.215 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.2 m -73.77 128.9 36.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.054 0.454 . . . . 1.0 111.917 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.585 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . -74.75 -44.62 5.24 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.739 -0.664 . . . . 1.0 111.182 177.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 25' ' ' ALA . 37.4 Cg_exo -58.1 -21.65 52.0 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 123.529 2.819 . . . . 1.0 113.621 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.81 -45.56 96.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.607 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.34 -42.08 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.179 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.98 -40.71 97.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.687 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.32 -40.49 89.95 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.2 -43.54 97.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.588 -0.523 . . . . 1.0 109.588 178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.44 -47.15 87.34 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.454 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.97 -43.04 99.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.999 0.428 . . . . 1.0 110.334 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.9 m -62.59 -41.93 99.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.577 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.72 -37.75 94.76 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 121.015 -0.612 . . . . 1.0 111.693 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.8 -42.33 98.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.304 0.552 . . . . 1.0 110.892 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -64.27 -41.26 97.0 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.59 -40.71 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 1.0 110.715 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.549 ' NE1' HD21 ' A' ' 43' ' ' LEU . 52.4 t-105 -59.93 -37.5 79.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.146 -0.934 . . . . 1.0 112.416 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 43' ' ' LEU . 65.6 tttm -58.61 -30.7 67.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.0 -0.545 . . . . 1.0 111.007 -178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.91 -45.21 93.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 117.802 -1.559 . . . . 1.0 108.032 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -63.95 -17.57 63.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.196 -1.366 . . . . 1.0 110.942 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.549 HD21 ' NE1' ' A' ' 39' ' ' TRP . 91.8 mt -82.59 -6.93 59.62 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -56.89 -45.51 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.603 0.594 . . . . 1.0 112.603 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -60.34 -49.8 76.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.175 -1.01 . . . . 1.0 110.636 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -66.91 -39.9 87.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.506 . . . . 1.0 111.182 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -62.01 -40.62 96.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.383 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -62.36 -41.07 98.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.079 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -93.74 111.54 23.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.568 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CG ' ' OXT' ' A' ' 50' ' ' PHE . 90.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.132 -0.692 . . . . 1.0 109.132 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 143.53 57.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.992 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.31 -36.29 82.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.21 146.73 52.21 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.32 -41.0 94.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.956 0.408 . . . . 1.0 110.615 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -111.32 117.45 33.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 1.0 109.927 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.14 -11.5 32.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.686 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 9' ' ' GLY . 12.7 p -63.95 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.052 0.453 . . . . 1.0 110.706 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 8' ' ' VAL . . . 80.33 -173.78 54.91 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.603 -0.999 . . . . 1.0 110.603 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.82 141.09 42.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.937 0.398 . . . . 1.0 110.725 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -143.46 155.94 60.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.3 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.95 -18.85 58.0 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.303 2.002 . . . . 1.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 m -60.75 -38.36 84.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.37 -43.43 98.84 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 121.041 -0.263 . . . . 1.0 110.663 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -83.97 166.0 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 1.0 110.644 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.4 t -66.86 137.22 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.307 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -97.45 109.43 22.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.14 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.45 144.39 29.27 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.265 -1.134 . . . . 1.0 110.265 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -155.59 152.81 29.21 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.467 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.76 -40.18 91.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.869 -0.419 . . . . 1.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 22' ' ' GLU . 10.7 p -63.79 -38.91 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.037 -0.528 . . . . 1.0 109.74 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 21' ' ' VAL . 83.0 tt0 -65.64 -41.28 92.79 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.043 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.63 ' C ' ' H ' ' A' ' 25' ' ' ALA . 84.2 mt -62.37 -42.85 99.74 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.293 -0.563 . . . . 1.0 109.704 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.9 p -58.59 14.68 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.353 -0.839 . . . . 1.0 111.257 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.63 ' H ' ' C ' ' A' ' 23' ' ' LEU . . . -49.37 -47.17 77.63 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -178.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 50.7 Cg_exo -53.6 -40.36 79.51 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.016 1.811 . . . . 1.0 111.445 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.99 -43.72 92.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.44 0.638 . . . . 1.0 109.901 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.4 mt -62.32 -42.15 99.14 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.678 -1.146 . . . . 1.0 110.42 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.73 -42.68 95.02 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.183 -0.607 . . . . 1.0 111.554 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.8 -44.67 80.65 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.118 0.414 . . . . 1.0 112.118 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 tt -68.32 -41.53 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 119.673 -0.811 . . . . 1.0 110.322 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.72 -45.44 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.904 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.4 -41.7 98.76 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 1.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.1 m -61.88 -42.9 99.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.566 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.83 -37.68 94.62 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.985 -0.626 . . . . 1.0 111.598 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.7 tp -62.05 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.534 0.667 . . . . 1.0 110.113 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -63.07 -42.96 99.79 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.276 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -70.2 -34.59 73.12 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.493 0.663 . . . . 1.0 110.96 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.724 ' NE1' HD13 ' A' ' 43' ' ' LEU . 74.3 t-105 -57.57 -38.98 75.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 1.0 111.377 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.43 -42.15 81.85 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.698 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -63.77 -39.74 94.98 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 122.113 0.959 . . . . 1.0 110.928 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -74.82 -32.61 62.02 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.648 -1.615 . . . . 1.0 111.02 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.724 HD13 ' NE1' ' A' ' 39' ' ' TRP . 14.5 tp -81.12 -5.97 58.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.658 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.8 m -53.91 -44.32 70.46 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.778 0.659 . . . . 1.0 112.778 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -60.55 -51.39 69.61 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 118.806 -1.158 . . . . 1.0 110.935 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' ASP . 90.6 m-85 -65.12 -40.64 94.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.947 0.403 . . . . 1.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.94 -41.28 97.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.62 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 48' ' ' ASN . 6.1 m120 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.735 -0.386 . . . . 1.0 110.245 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' PHE . 39.7 t0 -95.76 113.03 24.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.073 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.275 -0.869 . . . . 1.0 110.651 -179.56 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.1 mtm . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 108.814 -0.809 . . . . 1.0 108.814 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.4 142.29 58.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.726 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 45.7 33.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.137 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -152.49 153.29 33.2 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -112.92 137.03 51.92 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -65.3 -40.79 94.25 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.846 -0.342 . . . . 1.0 110.617 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.71 36.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.03 -45.55 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.72 164.23 29.18 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -61.87 -44.15 97.4 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.594 0.235 . . . . 1.0 110.943 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 46.18 71.67 1.49 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.457 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -62.21 145.52 96.19 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.684 2.256 . . . . 1.0 112.383 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.8 m -130.59 152.69 49.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.78 131.63 54.89 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.0 p -69.62 137.33 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 1.0 111.32 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.0 p -66.53 -36.79 83.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.935 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -95.9 108.9 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.272 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.446 ' O ' HG22 ' A' ' 21' ' ' VAL . . . -127.13 139.02 10.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.575 -0.61 . . . . 1.0 111.575 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 -10.75 59.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.778 0.323 . . . . 1.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' LEU . 96.6 mt-10 -63.48 -40.25 96.59 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.461 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 18' ' ' GLY . 11.6 m -67.98 -40.61 83.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-O 120.899 0.381 . . . . 1.0 111.405 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 21' ' ' VAL . 96.7 mt-10 -69.57 -37.49 77.01 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.157 0.799 . . . . 1.0 113.157 -178.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 24' ' ' SER . 94.3 mt -125.21 169.17 12.51 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.483 0.182 . . . . 1.0 110.549 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 164.54 18.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.267 0.556 . . . . 1.0 111.002 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.637 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -50.71 -49.59 78.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.461 0.541 . . . . 1.0 112.461 -178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 51.5 Cg_exo -53.3 -44.4 49.24 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 121.94 1.76 . . . . 1.0 113.239 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 24' ' ' SER . 26.9 m -71.24 -35.66 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.413 178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.7 -41.06 98.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.899 0.381 . . . . 1.0 110.396 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.5 -40.9 98.29 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -66.97 -40.69 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.469 -0.567 . . . . 1.0 109.469 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.46 -43.71 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 C-N-CA 120.178 -0.609 . . . . 1.0 110.177 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' HD11 ' A' ' 36' ' ' LEU . 89.4 t80 -61.06 -46.13 91.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.989 0.423 . . . . 1.0 110.712 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.27 -43.13 98.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.217 0.532 . . . . 1.0 110.425 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -61.71 -39.66 92.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.126 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -62.86 -40.7 99.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 121.165 -0.541 . . . . 1.0 111.806 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD11 ' CZ ' ' A' ' 32' ' ' TYR . 9.9 mp -61.66 -41.45 97.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 117.958 0.879 . . . . 1.0 111.1 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.26 -40.21 96.77 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.053 -0.659 . . . . 1.0 110.77 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.5 p -71.77 -35.63 70.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.269 0.557 . . . . 1.0 110.942 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 47.7 m0 -59.31 -33.14 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.718 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.27 -41.01 75.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.895 -0.722 . . . . 1.0 109.557 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -62.81 -46.38 88.24 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.653 -1.219 . . . . 1.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.97 -35.0 78.99 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 113.555 -1.657 . . . . 1.0 111.209 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' TRP . 94.6 mt -81.56 -6.5 59.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.224 179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -56.97 -45.8 82.63 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.951 -0.468 . . . . 1.0 112.228 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.03 -49.7 76.89 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.604 -0.838 . . . . 1.0 110.846 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -66.05 -41.05 91.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.135 0.493 . . . . 1.0 111.339 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -62.04 -40.59 96.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.643 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -64.1 -40.77 96.94 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.238 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -71.65 142.47 49.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.698 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.087 -0.959 . . . . 1.0 110.725 -179.782 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.96 89.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -114.58 125.62 53.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.123 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.31 151.84 32.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.691 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.442 ' O ' ' O ' ' A' ' 6' ' ' GLN . 84.9 t60 -65.37 -42.85 92.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.531 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 5' ' ' HIS . 67.8 tp60 56.73 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.368 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.75 153.59 33.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.397 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.8 m -133.0 159.92 42.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.654 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.27 -15.88 54.65 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.358 -0.697 . . . . 1.0 111.358 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 50.26 77.66 0.45 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.45 146.04 97.47 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.723 2.282 . . . . 1.0 111.884 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -136.51 145.58 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.686 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.71 -42.41 99.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.58 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -78.09 165.73 23.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.029 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -67.19 145.41 55.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.938 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -78.91 115.72 18.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.8 7.66 74.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.646 -0.982 . . . . 1.0 110.646 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.06 148.23 28.77 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.563 0.221 . . . . 1.0 110.505 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 55.3 mp0 -136.97 146.62 45.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.938 0.399 . . . . 1.0 110.595 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.9 m -65.53 -38.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.238 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -62.73 -37.44 86.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.837 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 24' ' ' SER . 88.3 mt -105.44 127.21 52.87 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.312 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 1.5 t 155.14 19.31 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.534 0.683 . . . . 1.0 109.232 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.642 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -49.15 -50.85 61.25 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.929 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 48.0 Cg_exo -53.44 -43.06 60.74 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.631 1.554 . . . . 1.0 112.139 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.24 -43.03 88.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.199 0.523 . . . . 1.0 109.867 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.08 -41.68 98.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.275 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' O ' HD13 ' A' ' 33' ' ' LEU . 99.6 mm-40 -64.43 -42.99 95.71 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.98 -0.288 . . . . 1.0 110.806 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.92 -40.09 95.67 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.179 -0.675 . . . . 1.0 109.179 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.3 mt -64.93 -44.85 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 119.14 -1.024 . . . . 1.0 110.432 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -59.17 -46.25 88.87 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.193 -0.603 . . . . 1.0 110.312 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 29' ' ' GLN . 8.2 mp -62.25 -40.69 97.03 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.259 0.552 . . . . 1.0 110.404 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.1 m -67.08 -38.24 85.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.76 0.791 . . . . 1.0 110.436 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.533 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -64.29 -38.5 95.96 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -42.45 98.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.631 0.715 . . . . 1.0 110.063 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -64.17 -41.34 97.16 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.31 -0.556 . . . . 1.0 110.242 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -71.5 -38.04 71.2 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.407 178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 39.1 m0 -58.7 -36.33 74.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 1.0 112.246 -178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -53.79 -40.89 66.69 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.512 -0.875 . . . . 1.0 109.552 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.58 -44.15 96.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.025 0.917 . . . . 1.0 111.34 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -72.69 -35.66 67.7 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 113.676 -1.602 . . . . 1.0 110.947 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.7 mp -83.64 -5.06 59.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.255 -0.884 . . . . 1.0 112.484 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -56.64 -44.9 81.75 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.789 -176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.24 -48.82 80.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 119.085 -1.046 . . . . 1.0 110.316 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.128 0.49 . . . . 1.0 111.011 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -62.25 -41.05 98.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.555 -0.748 . . . . 1.0 111.82 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -62.89 -40.92 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.422 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -94.92 110.86 22.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.625 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.434 ' OXT' ' CD2' ' A' ' 50' ' ' PHE . 89.1 t80 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.565 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 ttm . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 144.24 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.614 -0.721 . . . . 1.0 110.479 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 59.08 30.76 20.64 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.113 -0.494 . . . . 1.0 111.374 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.89 144.63 54.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.435 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -109.81 130.37 55.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.553 -0.749 . . . . 1.0 110.3 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -127.65 138.83 52.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.234 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.66 141.3 58.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.927 0.394 . . . . 1.0 110.561 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.04 135.46 60.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.057 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.16 12.62 80.57 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.365 -0.694 . . . . 1.0 111.365 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -121.74 128.88 52.26 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 110.554 -0.165 . . . . 1.0 110.554 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' NH1' ' OD2' ' A' ' 17' ' ' ASP . 8.8 mtp180 -142.96 147.75 42.71 Favored Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.164 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 15' ' ' THR . 33.1 Cg_endo -64.13 145.29 89.04 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 121.895 1.73 . . . . 1.0 111.456 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.3 p -69.62 -18.91 63.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.429 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.79 -43.33 99.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.28 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 12' ' ' PRO . 70.7 p -131.31 159.69 37.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.144 0.497 . . . . 1.0 110.965 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.5 p -158.03 161.85 38.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.45 -0.795 . . . . 1.0 110.311 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' OD2' ' NH1' ' A' ' 11' ' ' ARG . 77.0 m-20 -67.69 140.01 56.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.751 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.57 140.52 11.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 140.09 57.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.921 0.391 . . . . 1.0 110.379 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' LEU . 97.0 mt-10 -138.8 -2.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.498 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 22' ' ' GLU . 33.1 m -66.08 -39.72 85.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.008 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 21' ' ' VAL . 96.9 mt-10 -65.56 -43.9 88.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.807 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 24' ' ' SER . 87.6 mt -116.87 126.07 52.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.216 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 3.1 m 151.45 18.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.306 0.574 . . . . 1.0 109.748 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 26' ' ' PRO . . . -46.67 -48.58 49.06 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.57 -178.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 25' ' ' ALA . 52.6 Cg_exo -54.35 -40.83 81.09 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.352 1.368 . . . . 1.0 111.931 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.08 -41.99 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.423 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.585 -0.446 . . . . 1.0 111.376 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.42 -40.42 97.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.895 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -67.28 -41.09 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.6 -43.44 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 N-CA-C 108.866 -0.79 . . . . 1.0 108.866 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.79 -46.41 89.28 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.155 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.46 -42.28 98.61 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.879 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.1 p -66.23 -36.57 83.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.376 -0.529 . . . . 1.0 110.158 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' TRP . . . -65.48 -38.11 94.46 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.625 -0.798 . . . . 1.0 111.451 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.02 -42.03 98.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.601 0.7 . . . . 1.0 110.039 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -63.09 -43.77 97.6 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.569 -0.453 . . . . 1.0 110.457 178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -70.68 -36.67 73.42 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.292 0.568 . . . . 1.0 111.32 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 42.0 m0 -58.64 -33.92 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.635 -0.712 . . . . 1.0 111.51 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.8 -41.83 78.43 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.859 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.62 -40.07 93.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.35 1.072 . . . . 1.0 110.441 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -75.7 -34.06 60.38 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 113.177 -1.828 . . . . 1.0 111.403 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' TRP . 12.9 tp -82.25 -6.09 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.204 1.001 . . . . 1.0 111.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -57.68 -45.6 85.4 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 122.067 -0.396 . . . . 1.0 111.559 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.12 -51.08 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.393 -0.923 . . . . 1.0 110.441 -178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 49' ' ' ASP . 93.0 m-85 -67.92 -39.25 83.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.798 0.332 . . . . 1.0 111.713 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE3' ' ND2' ' A' ' 48' ' ' ASN . 34.1 t90 -63.47 -39.75 95.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.685 -179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.622 ' ND2' ' CE3' ' A' ' 47' ' ' TRP . 9.9 m120 -101.31 14.1 33.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 50' ' ' PHE . 50.1 p-10 -64.8 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.596 -0.442 . . . . 1.0 110.554 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 91.6 t80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.231 -179.834 . . . . . . . . 1 1 . 1 stop_ save_