data_2m2p_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 2m2p _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 ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 119.183 -0.437 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m 55.14 18.26 2.3 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 p -90.9 -61.7 1.61 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.044 1.338 . . . . 0.0 111.246 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -118.81 161.86 19.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.01 2.124 . . . . 0.0 109.273 165.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.49 115.55 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.07 122.77 22.33 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -157.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -69.45 154.32 42.19 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.94 0.896 . . . . 0.0 110.632 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.67 -29.9 70.98 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.235 -0.916 . . . . 0.0 112.41 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -56.36 -35.88 68.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.44 1.096 . . . . 0.0 113.142 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.42 -36.17 58.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.844 0.857 . . . . 0.0 111.038 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.47 -32.07 70.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.401 1.08 . . . . 0.0 112.618 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.75 -20.38 56.21 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -56.82 -34.88 68.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.847 0.859 . . . . 0.0 112.282 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -93.04 -19.86 21.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.587 1.555 . . . . 0.0 112.599 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -74.64 -34.44 62.75 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.492 0.717 . . . . 0.0 111.8 169.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 C--O 1.239 0.527 0 C-N-CA 125.903 1.681 . . . . 0.0 110.596 -178.046 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 120.95 0.405 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -133.76 -45.17 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.283 1.833 . . . . 0.0 110.227 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -110.35 172.26 6.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.133 1.773 . . . . 0.0 111.205 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.09 131.08 48.36 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.816 0.846 . . . . 0.0 111.431 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -154.44 165.41 36.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.317 3.047 . . . . 0.0 109.353 -13.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.02 154.39 35.77 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.549 1.54 . . . . 0.0 110.856 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m 64.13 138.41 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.959 2.504 . . . . 0.0 114.508 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.87 -3.85 65.13 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 128.117 2.77 . . . . 0.0 114.944 -6.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -122.68 -168.05 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.529 1.932 . . . . 0.0 111.023 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 61.43 -28.64 0.06 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.933 2.893 . . . . 0.0 116.855 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.95 -44.52 97.17 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.194 1.361 . . . . 0.0 111.998 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.77 -37.91 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 122.975 0.51 . . . . 0.0 111.858 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.76 -38.28 86.28 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.705 0.684 . . . . 0.0 112.103 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -48.88 78.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.212 0.605 . . . . 0.0 110.903 170.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.09 -38.22 85.3 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.099 -1.001 . . . . 0.0 113.249 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -57.64 -29.78 64.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.259 0.936 . . . . 0.0 112.773 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.71 -32.49 16.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.255 1.022 . . . . 0.0 113.347 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -87.21 -36.3 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.877 1.271 . . . . 0.0 112.844 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -85.45 69.27 10.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 C-N-CA 125.554 1.55 . . . . 0.0 113.352 169.235 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 119.573 -0.251 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 m 52.8 -70.92 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 130.232 3.413 . . . . 0.0 116.811 160.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -75.57 -26.94 58.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.929 1.292 . . . . 0.0 111.859 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -118.42 153.66 33.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.088 1.355 . . . . 0.0 113.908 -170.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mm -63.63 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.444 1.498 . . . . 0.0 109.427 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.71 117.23 19.13 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.525 0.679 . . . . 0.0 112.676 163.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.2 m -94.87 172.86 7.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 111.849 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.9 -38.74 62.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.532 1.133 . . . . 0.0 113.596 -170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.41 -38.15 83.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.36 1.064 . . . . 0.0 113.298 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.59 -37.09 60.11 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.508 1.123 . . . . 0.0 110.918 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.59 -38.31 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.561 1.144 . . . . 0.0 112.359 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.68 -27.07 62.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.399 1.079 . . . . 0.0 112.891 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.77 -5.66 35.73 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -94.64 -9.63 34.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.832 1.253 . . . . 0.0 113.355 167.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -113.31 -32.57 6.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.253 1.421 . . . . 0.0 112.961 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.3 p30 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.345 1.458 . . . . 0.0 112.352 179.023 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 p90 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.79 158.96 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 130.603 3.561 . . . . 0.0 113.212 -0.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.5 34.63 17.92 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.914 1.686 . . . . 0.0 115.269 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -133.21 166.43 22.49 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.796 1.238 . . . . 0.0 111.832 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.09 146.47 53.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.868 1.267 . . . . 0.0 111.658 169.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -136.28 142.23 43.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.163 1.785 . . . . 0.0 108.451 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 t -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.926 0.784 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.3 -131.53 50.7 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.405 0.447 . . . . 0.0 113.524 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -58.85 -27.81 65.5 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.525 1.13 . . . . 0.0 113.714 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -70.79 -30.59 67.11 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.368 0.986 . . . . 0.0 112.65 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.77 -46.65 65.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.443 0.565 . . . . 0.0 109.804 169.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.21 -44.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 121.579 -0.701 . . . . 0.0 111.629 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.8 -38.15 89.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.596 0.758 . . . . 0.0 112.806 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.831 0.742 . . . . 0.0 112.561 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.625 -1.297 . . . . 0.0 112.332 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -72.91 -5.71 40.27 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 171.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.0 -45.68 5.86 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.053 1.341 . . . . 0.0 111.797 166.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.06 -34.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.833 1.653 . . . . 0.0 112.552 -172.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -110.36 4.72 20.96 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.649 1.58 . . . . 0.0 113.475 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 C-N-CA 124.492 1.044 . . . . 0.0 113.523 176.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.257 30.8 t . . . . . 0 CA--C 1.555 1.164 0 CA-C-O 123.176 1.465 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.08 157.3 26.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.044 1.738 . . . . 0.0 110.384 158.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m 65.31 -50.2 0.36 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.649 2.379 . . . . 0.0 115.789 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -107.03 153.97 21.82 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.877 1.671 . . . . 0.0 111.64 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -102.44 130.68 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.449 1.1 . . . . 0.0 109.793 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -101.09 156.07 17.63 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.7 1.6 . . . . 0.0 113.963 -168.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -84.25 153.06 23.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.154 1.382 . . . . 0.0 111.521 167.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.23 -23.89 66.92 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.428 -0.795 . . . . 0.0 112.019 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -57.47 -35.18 69.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 112.458 170.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.84 -37.69 73.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.407 -0.808 . . . . 0.0 110.739 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -65.51 -40.25 92.78 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.139 0.576 . . . . 0.0 111.296 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.91 -35.25 80.55 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.109 -0.995 . . . . 0.0 112.32 172.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -67.61 -30.56 70.18 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.514 -0.741 . . . . 0.0 112.47 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -71.27 -39.14 71.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.106 0.866 . . . . 0.0 111.673 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.67 -32.14 73.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.908 0.883 . . . . 0.0 112.221 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 . . . . . 0 C--O 1.238 0.481 0 C-N-CA 125.992 1.717 . . . . 0.0 110.476 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.41 137.52 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.378 1.071 . . . . 0.0 110.389 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.08 52.99 1.63 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.323 1.449 . . . . 0.0 112.085 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.81 44.85 1.92 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.556 1.942 . . . . 0.0 111.273 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 45.8 m80 65.74 162.15 0.15 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.207 2.203 . . . . 0.0 115.303 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -138.74 99.17 3.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.338 1.455 . . . . 0.0 109.075 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -145.79 152.82 40.15 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.446 -0.784 . . . . 0.0 111.324 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -139.78 47.7 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 -171.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -55.92 -32.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.241 1.016 . . . . 0.0 113.669 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -64.66 -32.88 74.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.597 0.759 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -71.43 -38.33 71.37 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.26 0.624 . . . . 0.0 111.569 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.78 -45.79 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.345 0.658 . . . . 0.0 110.479 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.59 -38.77 92.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.606 -0.684 . . . . 0.0 112.381 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.26 99.77 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.242 -0.911 . . . . 0.0 111.863 172.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.91 -30.18 67.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.271 -0.893 . . . . 0.0 113.282 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -62.26 -39.01 91.49 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.37 0.986 . . . . 0.0 111.393 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -73.59 -46.37 47.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.366 1.066 . . . . 0.0 112.707 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.43 -40.15 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.68 -10.51 58.13 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.947 0.899 . . . . 0.0 113.188 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 126.188 1.851 . . . . 0.0 114.306 168.124 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' H ' ' CD2' ' B' ' 11' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.72 153.85 0.07 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.962 2.505 . . . . 0.0 115.815 -174.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 p -82.65 156.74 23.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.608 2.763 . . . . 0.0 111.729 -9.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -83.16 -163.42 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.849 3.26 . . . . 0.0 112.702 -1.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.12 129.76 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.369 1.467 . . . . 0.0 111.665 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.3 m -93.46 160.77 14.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.753 1.221 . . . . 0.0 112.728 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -131.95 172.65 12.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.467 1.907 . . . . 0.0 111.075 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -52.63 -37.87 59.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.18 1.392 . . . . 0.0 112.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -61.53 -39.59 91.61 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.756 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -69.43 -37.74 77.54 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.432 -0.792 . . . . 0.0 110.889 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.55 -43.38 94.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.044 0.538 . . . . 0.0 111.995 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.18 -24.96 68.12 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.216 -0.927 . . . . 0.0 113.26 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -68.2 -10.51 54.94 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 120.901 -1.124 . . . . 0.0 113.713 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.54 -2.23 57.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.442 1.097 . . . . 0.0 113.662 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.99 96.98 3.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 122.87 1.319 . . . . 0.0 112.57 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.261 1.424 . . . . 0.0 111.275 176.01 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.998 0.427 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.41 -16.34 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.913 1.285 . . . . 0.0 111.722 162.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -142.22 165.2 28.09 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.932 2.093 . . . . 0.0 110.393 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 64.04 156.1 0.07 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.07 2.148 . . . . 0.0 113.9 -166.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -63.16 136.21 57.61 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.239 1.016 . . . . 0.0 112.199 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tp -123.99 12.57 9.04 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.026 1.33 . . . . 0.0 113.256 -172.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.42 166.92 10.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.587 1.955 . . . . 0.0 112.826 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.88 83.36 0.82 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.594 1.092 . . . . 0.0 111.638 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.5 m 61.48 -25.49 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 128.347 2.659 . . . . 0.0 117.124 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -76.01 -20.07 58.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.668 1.122 . . . . 0.0 113.641 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.41 ' CD2' ' H ' ' A' ' 6' ' ' CYS . 59.8 tp -61.87 -42.08 98.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.435 -0.791 . . . . 0.0 112.58 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.24 -35.89 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.974 0.806 . . . . 0.0 111.752 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.51 -35.57 79.36 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.316 0.646 . . . . 0.0 112.035 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.12 79.58 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.486 0.714 . . . . 0.0 112.213 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.83 -30.87 71.56 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.252 -0.905 . . . . 0.0 112.284 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -65.22 -17.81 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.64 -40.83 10.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.529 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.98 -35.67 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.146 0.978 . . . . 0.0 112.978 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.14 -4.91 13.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.22 1.808 . . . . 0.0 114.172 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.351 0 C-N-CA 124.353 0.978 . . . . 0.0 113.465 -173.715 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -84.86 59.27 5.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.87 1.668 . . . . 0.0 109.829 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -27.64 65.62 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -167.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 p -64.18 149.42 47.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 131.417 3.887 . . . . 0.0 114.233 -1.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt 47.37 94.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 128.037 2.535 . . . . 0.0 114.633 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -68.48 171.39 7.51 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.76 0.79 . . . . 0.0 111.738 157.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -136.49 165.64 25.36 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.375 1.07 . . . . 0.0 112.061 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.37 -36.13 61.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 112.851 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -61.38 -30.62 70.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.698 1.199 . . . . 0.0 113.68 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -77.28 -33.02 55.87 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.16 -0.962 . . . . 0.0 111.287 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.26 -40.77 58.54 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.697 0.799 . . . . 0.0 112.972 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -14.93 62.86 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -173.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.82 -31.25 68.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 112.917 168.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -86.26 -5.34 59.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.1 -6.32 38.27 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -172.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.763 1.625 . . . . 0.0 113.678 172.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t 54.62 -54.85 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 130.284 3.434 . . . . 0.0 117.45 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.37 78.45 1.64 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.066 1.746 . . . . 0.0 111.212 -171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.77 -178.05 6.49 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.868 -1.145 . . . . 0.0 113.518 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -71.51 68.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.308 1.843 . . . . 0.0 112.935 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.46 46.94 0.78 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.77 1.628 . . . . 0.0 111.952 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -87.82 151.0 23.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.096 1.358 . . . . 0.0 112.522 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.19 -123.81 33.76 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.667 -0.646 . . . . 0.0 113.413 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.51 -27.29 66.02 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -73.03 -17.57 61.42 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.233 -0.917 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.02 -48.59 52.19 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 111.037 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.48 -38.84 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.02 0.528 . . . . 0.0 111.872 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -61.1 -37.43 82.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.065 0.546 . . . . 0.0 112.269 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.22 62.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.121 0.568 . . . . 0.0 111.905 172.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.15 -39.35 75.07 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.206 0.912 . . . . 0.0 112.646 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.235 1.014 . . . . 0.0 113.34 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -106.88 -40.83 5.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.122 1.769 . . . . 0.0 112.138 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.11 -36.6 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.625 1.57 . . . . 0.0 111.722 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -92.09 3.24 55.72 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.582 1.153 . . . . 0.0 113.951 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.67 0 C-N-CA 125.879 1.704 . . . . 0.0 116.195 178.449 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.89 -24.29 59.69 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -123.29 -8.42 8.15 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -168.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 t -143.49 156.34 44.6 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.85 1.26 . . . . 0.0 112.258 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.27 93.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.824 1.25 . . . . 0.0 109.723 -175.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.18 113.17 9.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.904 0.482 . . . . 0.0 111.348 171.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.462 ' H ' ' NE2' ' A' ' 15' ' ' GLN . 43.8 p -69.38 164.55 22.69 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.275 1.03 . . . . 0.0 110.802 161.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.2 -31.16 70.93 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.752 -1.218 . . . . 0.0 112.243 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -57.17 -40.68 77.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.829 0.851 . . . . 0.0 112.374 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.462 ' NE2' ' H ' ' A' ' 12' ' ' SER . 67.5 mt-30 -71.04 -36.96 72.54 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.706 -0.621 . . . . 0.0 111.184 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.37 -36.25 81.69 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.794 0.437 . . . . 0.0 111.74 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.7 -32.59 74.0 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.857 -1.152 . . . . 0.0 113.31 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.58 -28.25 69.0 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.522 1.055 . . . . 0.0 113.073 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -70.25 -43.64 70.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.248 0.931 . . . . 0.0 111.378 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.88 -39.89 93.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.807 0.843 . . . . 0.0 112.82 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 126.163 1.785 . . . . 0.0 113.672 175.838 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.91 167.28 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 130.162 3.385 . . . . 0.0 111.805 -6.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 55.39 -146.64 0.56 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.587 1.555 . . . . 0.0 112.483 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -139.76 160.66 39.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.584 1.954 . . . . 0.0 110.513 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -103.03 121.91 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.027 2.931 . . . . 0.0 112.974 10.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.07 134.44 33.83 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.777 1.231 . . . . 0.0 108.264 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.3 t -147.05 -98.35 0.09 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.54 0.736 . . . . 0.0 112.09 -169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.46 -11.23 80.0 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.58 1.086 . . . . 0.0 114.918 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.37 163.04 34.02 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.116 1.767 . . . . 0.0 110.59 171.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m80 60.37 -27.92 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.093 2.957 . . . . 0.0 117.181 -177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.6 -48.21 80.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.025 1.284 . . . . 0.0 112.168 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.92 -28.94 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.24 -43.59 50.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.311 0.645 . . . . 0.0 110.998 170.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.59 -37.76 79.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.344 1.057 . . . . 0.0 113.033 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.61 -45.28 94.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.353 0.979 . . . . 0.0 111.365 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.97 -33.89 61.94 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.83 -31.76 72.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.653 0.781 . . . . 0.0 112.537 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -79.38 -45.77 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.561 1.144 . . . . 0.0 111.637 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.1 -33.73 59.49 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 C-N-CA 125.491 1.52 . . . . 0.0 112.349 -171.746 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.5 -22.66 34.22 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 p -85.7 -10.67 55.31 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.397 1.479 . . . . 0.0 114.566 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -142.86 156.68 44.97 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -168.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -84.02 65.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 167.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 m -54.16 145.63 16.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.776 1.23 . . . . 0.0 113.335 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.7 m -77.24 158.0 30.52 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.647 1.179 . . . . 0.0 111.83 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.0 -32.2 70.64 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -56.57 -31.05 63.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.383 1.073 . . . . 0.0 112.514 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -81.94 -31.34 31.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.76 -30.99 68.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.55 0.74 . . . . 0.0 112.644 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.72 -20.52 49.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -57.09 -29.39 63.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.89 1.276 . . . . 0.0 112.791 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -88.31 -1.9 58.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.492 1.517 . . . . 0.0 113.152 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.47 -32.02 5.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.555 1.542 . . . . 0.0 113.025 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.983 1.313 . . . . 0.0 112.145 179.73 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.45 118.08 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.271 1.828 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -151.37 154.96 37.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.045 3.338 . . . . 0.0 109.547 -12.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 61.14 174.3 0.11 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.585 1.554 . . . . 0.0 112.471 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -60.85 122.98 16.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.389 -1.444 . . . . 0.0 110.349 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.94 85.69 7.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 122.025 0.917 . . . . 0.0 111.811 -159.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.87 158.66 29.83 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.787 2.035 . . . . 0.0 110.896 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.01 -126.45 22.35 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.884 0.754 . . . . 0.0 114.384 168.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.4 p -62.25 -33.09 73.95 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -66.16 -40.92 90.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.567 1.076 . . . . 0.0 111.537 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.67 -39.61 88.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.37 0.668 . . . . 0.0 111.84 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.27 -47.0 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.897 0.879 . . . . 0.0 111.602 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.25 -46.65 85.57 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 111.635 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.19 93.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.06 -30.56 66.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.214 -0.929 . . . . 0.0 113.204 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.9 -34.46 77.83 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.015 1.28 . . . . 0.0 112.467 168.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.15 -39.77 68.5 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.121 0.873 . . . . 0.0 113.075 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.48 -39.44 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.004 0.922 . . . . 0.0 112.68 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.5 m -127.92 -3.41 5.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 CA-C-N 119.761 1.164 . . . . 0.0 113.454 174.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 121.452 0.644 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -102.79 -36.59 8.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.38 1.472 . . . . 0.0 114.036 -166.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -104.57 -40.86 5.88 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.678 1.191 . . . . 0.0 110.975 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -99.5 154.34 18.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.568 1.547 . . . . 0.0 112.27 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -99.31 125.7 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 108.993 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.5 m -97.31 121.42 39.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.929 . . . . 0.0 112.459 -170.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 m -67.05 156.28 36.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.25 1.02 . . . . 0.0 111.176 167.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.34 -26.13 67.61 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.99 -1.069 . . . . 0.0 112.897 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.71 -37.26 58.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.986 1.314 . . . . 0.0 113.185 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.73 -44.25 82.03 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.482 -0.762 . . . . 0.0 110.735 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.91 -37.92 87.33 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.796 0.438 . . . . 0.0 110.983 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.0 -36.62 84.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 170.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -67.98 -28.78 67.73 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.308 -0.87 . . . . 0.0 112.565 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -78.07 -34.72 50.13 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.897 0.771 . . . . 0.0 111.511 172.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.08 -39.62 93.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.929 1.291 . . . . 0.0 112.43 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 127.29 2.236 . . . . 0.0 113.68 176.495 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.39 -20.76 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.106 1.362 . . . . 0.0 113.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.34 -16.03 58.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -170.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.86 177.64 8.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.372 1.469 . . . . 0.0 112.546 -169.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -62.83 156.25 24.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.672 1.189 . . . . 0.0 112.306 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.24 26.39 8.49 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.548 1.139 . . . . 0.0 112.63 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -105.46 149.57 26.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.347 1.859 . . . . 0.0 113.07 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -0.36 60.02 Favored Glycine 0 CA--C 1.55 2.279 0 N-CA-C 119.297 2.479 . . . . 0.0 119.297 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -143.73 151.27 39.8 Favored 'General case' 0 N--CA 1.475 0.803 2 CA-C-N 126.442 5.121 . . . . 0.0 111.835 -5.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -124.96 -14.21 6.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.089 1.756 . . . . 0.0 113.047 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -54.08 -34.48 60.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.511 1.125 . . . . 0.0 114.029 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.37 -38.3 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.791 0.836 . . . . 0.0 112.941 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.2 -44.12 72.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.515 0.726 . . . . 0.0 110.615 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -38.47 76.76 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.093 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.97 -43.15 79.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.706 0.802 . . . . 0.0 112.522 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -63.01 -39.82 95.89 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.96 1.254 . . . . 0.0 111.902 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.5 -9.41 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.52 -40.67 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.018 1.727 . . . . 0.0 112.327 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 t -95.83 -30.26 13.77 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.447 1.499 . . . . 0.0 114.338 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 C-N-CA 124.623 1.106 . . . . 0.0 112.63 179.544 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 CA--C 1.552 1.044 0 N-CA-C 111.143 0.053 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.292 1.7 p 56.03 148.24 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 130.522 3.529 . . . . 0.0 118.824 168.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 m -66.4 143.84 56.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 130.42 3.488 . . . . 0.0 111.642 -6.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.3 p -103.58 -149.69 0.41 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 131.11 3.764 . . . . 0.0 112.463 2.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.67 118.48 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.079 1.352 . . . . 0.0 109.306 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -78.83 -46.1 19.41 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -169.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t 59.64 167.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.63 -40.2 62.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.088 1.755 . . . . 0.0 112.717 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.21 -36.14 63.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.726 1.211 . . . . 0.0 113.107 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.88 -32.1 19.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.904 0.481 . . . . 0.0 111.935 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.53 -28.15 69.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.68 -24.95 59.37 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -69.57 -22.85 63.5 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.892 -1.13 . . . . 0.0 113.571 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -75.53 -19.33 59.41 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.472 1.109 . . . . 0.0 112.712 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 m -84.2 -3.07 57.92 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.643 1.577 . . . . 0.0 112.962 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -61.74 151.07 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.103 1.361 . . . . 0.0 111.769 164.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.09 59.08 4.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.222 1.009 . . . . 0.0 112.492 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -134.64 171.3 14.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.539 1.536 . . . . 0.0 110.992 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -65.05 -17.35 64.37 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -161.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.24 43.51 26.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.782 1.633 . . . . 0.0 111.248 -165.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.7 164.83 16.73 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.716 1.606 . . . . 0.0 112.298 -169.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.72 -132.0 51.07 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.578 -0.701 . . . . 0.0 112.143 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -59.26 -26.58 65.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.74 -15.67 53.57 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.06 -52.38 65.63 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.849 0.859 . . . . 0.0 111.507 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.91 -33.83 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.3 -41.56 89.55 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.334 0.654 . . . . 0.0 111.928 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.86 79.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.17 0.588 . . . . 0.0 112.325 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.83 -30.44 69.84 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.746 -1.221 . . . . 0.0 113.556 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.04 -11.87 44.09 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 168.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.49 -42.35 6.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.633 1.173 . . . . 0.0 112.397 170.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.43 -44.63 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.86 0.864 . . . . 0.0 112.281 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.4 m -96.73 -33.36 11.74 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.799 0.84 . . . . 0.0 112.814 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.642 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -174.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.544 0.734 0 CA-C-O 121.201 0.524 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -98.12 -40.07 8.59 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.357 1.063 . . . . 0.0 113.459 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -101.58 -28.27 12.62 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.164 1.386 . . . . 0.0 112.145 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 p -95.45 151.66 19.09 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.328 1.851 . . . . 0.0 112.765 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.25 133.64 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.359 1.464 . . . . 0.0 108.87 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.93 109.88 14.12 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.759 0.824 . . . . 0.0 112.605 -167.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 m -65.27 163.35 15.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.101 0.96 . . . . 0.0 110.887 163.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.54 -33.54 70.01 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 112.831 -177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.91 -36.22 69.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.192 0.997 . . . . 0.0 113.181 171.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -78.22 -39.87 39.14 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.841 0.856 . . . . 0.0 111.125 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.02 -32.55 73.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.865 0.866 . . . . 0.0 112.629 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.87 -17.28 49.44 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.35 -32.38 73.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.819 -1.176 . . . . 0.0 112.257 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -77.22 -3.79 41.44 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.437 1.095 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -78.63 -14.67 59.2 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.223 -0.923 . . . . 0.0 112.246 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 126.777 2.031 . . . . 0.0 113.628 -178.264 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.71 -26.71 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.375 1.47 . . . . 0.0 114.298 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -114.95 15.24 17.3 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.167 1.387 . . . . 0.0 113.56 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -142.99 169.26 17.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.016 1.327 . . . . 0.0 112.694 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -66.69 150.26 49.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.223 1.009 . . . . 0.0 111.246 170.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.06 8.1 11.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -48.39 134.93 14.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.988 1.315 . . . . 0.0 114.549 -168.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.46 -137.3 21.59 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.832 0.73 . . . . 0.0 113.13 -173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -60.52 -33.06 72.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -62.01 -30.13 70.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.99 -48.58 57.64 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.814 0.846 . . . . 0.0 111.78 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 119.176 0.898 . . . . 0.0 111.282 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.6 -38.24 86.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.597 0.635 . . . . 0.0 112.675 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.91 75.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.526 0.603 . . . . 0.0 111.783 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.78 -28.36 65.68 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.919 -1.113 . . . . 0.0 113.559 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -64.31 -11.14 29.12 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 167.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -106.73 -42.08 5.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.432 1.493 . . . . 0.0 112.291 172.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.89 -39.4 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.974 1.31 . . . . 0.0 112.199 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -98.43 -12.18 21.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.637 1.175 . . . . 0.0 113.344 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.346 0 C-N-CA 124.305 0.955 . . . . 0.0 113.38 -175.763 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -167.5 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.761 2.424 . . . . 0.0 110.349 162.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -72.43 -28.69 63.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.451 1.1 . . . . 0.0 112.661 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -128.08 163.23 25.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.83 2.052 . . . . 0.0 111.75 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.15 135.62 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.737 1.215 . . . . 0.0 108.918 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 m -110.02 149.24 30.27 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.8 p -82.75 22.44 0.9 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -167.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 62.92 -42.37 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 115.155 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -52.6 -34.85 52.69 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.479 1.512 . . . . 0.0 112.665 168.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -69.9 -27.84 65.12 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.429 -0.794 . . . . 0.0 112.711 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.84 -44.3 64.08 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 169.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.2 -35.9 67.81 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.411 -0.806 . . . . 0.0 112.743 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.19 -21.1 61.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.61 -16.24 62.28 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.7 m -120.81 -19.76 7.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.603 1.561 . . . . 0.0 114.692 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.156 1.382 . . . . 0.0 112.087 -163.447 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 120.637 0.256 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.71 -21.95 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.472 1.509 . . . . 0.0 113.778 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -133.83 13.43 4.01 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.643 1.577 . . . . 0.0 112.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -151.11 157.88 43.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.429 1.891 . . . . 0.0 110.401 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -63.18 153.95 32.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.884 1.274 . . . . 0.0 113.556 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -124.51 144.34 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.946 1.698 . . . . 0.0 108.604 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.79 142.65 30.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.461 1.028 . . . . 0.0 111.023 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.91 -120.67 9.44 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.541 1.067 . . . . 0.0 113.809 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -51.82 -40.82 61.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.229 1.412 . . . . 0.0 113.333 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -67.73 -32.9 73.84 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.454 -0.779 . . . . 0.0 112.661 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -72.56 -41.52 65.66 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.839 -0.538 . . . . 0.0 111.9 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.04 -33.97 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.047 -1.033 . . . . 0.0 111.97 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.87 -30.7 71.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.44 -0.788 . . . . 0.0 112.506 168.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.08 75.88 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.392 -0.818 . . . . 0.0 112.209 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.27 -31.4 72.53 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.905 -1.122 . . . . 0.0 112.893 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.35 -14.95 21.32 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.23 -45.33 4.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.311 1.444 . . . . 0.0 112.622 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.08 -44.57 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 112.127 -173.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.46 -23.49 13.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.044 1.338 . . . . 0.0 112.847 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 C-N-CA 125.925 1.726 . . . . 0.0 117.063 -171.136 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 CA--C 1.547 0.862 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 m -103.45 144.71 31.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.882 2.073 . . . . 0.0 109.546 167.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m 64.22 -35.65 0.17 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 127.196 2.198 . . . . 0.0 115.468 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -119.62 152.73 36.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.576 1.95 . . . . 0.0 111.12 170.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.22 128.36 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.585 1.154 . . . . 0.0 109.742 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.1 m -77.67 150.36 34.54 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.266 1.026 . . . . 0.0 113.054 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -89.1 168.93 11.93 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.828 1.251 . . . . 0.0 112.661 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.0 tp -55.08 -41.35 71.43 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.997 0.919 . . . . 0.0 112.055 170.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.13 -36.6 82.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.299 1.04 . . . . 0.0 112.485 176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.36 -41.61 84.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.121 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.19 -32.47 73.93 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.21 -19.38 65.3 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.77 -16.72 60.08 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.896 -1.128 . . . . 0.0 113.453 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -79.79 -15.31 57.7 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.517 1.127 . . . . 0.0 113.507 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.83 8.03 7.59 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -155.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.465 1.506 . . . . 0.0 112.472 168.711 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.74 136.94 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.341 -0.849 . . . . 0.0 113.192 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -69.31 163.95 23.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.798 2.039 . . . . 0.0 112.181 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.74 -179.63 1.86 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.645 3.578 . . . . 0.0 113.462 -0.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -45.84 131.5 9.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.551 1.54 . . . . 0.0 112.078 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.46 -14.01 57.54 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -165.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -22.74 -45.73 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.904 3.681 . . . . 0.0 118.557 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.43 -140.72 3.07 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.991 1.281 . . . . 0.0 114.115 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -66.29 -19.89 65.95 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.362 -1.081 . . . . 0.0 113.648 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -55.13 -36.38 65.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.533 1.533 . . . . 0.0 111.882 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.16 -56.3 17.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.123 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.81 -31.9 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.034 0.833 . . . . 0.0 112.308 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.65 -42.8 98.06 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.21 0.604 . . . . 0.0 111.916 168.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.76 76.0 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.733 0.813 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -57.94 -43.06 86.09 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.703 1.138 . . . . 0.0 111.513 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.59 -19.23 65.83 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.98 -14.24 45.19 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 112.993 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -107.75 -34.06 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.732 1.613 . . . . 0.0 112.364 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -140.74 147.28 38.92 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.701 1.6 . . . . 0.0 112.427 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.573 0 C-N-CA 127.282 2.372 . . . . 0.0 111.459 173.799 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.34 147.12 23.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.087 1.755 . . . . 0.0 111.836 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p 60.45 -47.08 0.1 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 129.097 2.959 . . . . 0.0 116.202 -178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 p -96.74 151.89 19.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.534 1.534 . . . . 0.0 111.858 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.6 mt -96.64 133.59 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 -171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.42 118.6 31.52 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.166 0.987 . . . . 0.0 111.689 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -79.24 165.5 23.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.258 1.023 . . . . 0.0 110.761 163.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.35 -31.31 67.47 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.222 -0.924 . . . . 0.0 112.812 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -55.33 -35.28 64.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.666 1.186 . . . . 0.0 113.46 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -74.45 -33.41 62.91 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.202 -0.936 . . . . 0.0 111.41 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.03 -38.1 75.77 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.292 0.637 . . . . 0.0 111.042 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.07 -30.59 71.65 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.092 -1.005 . . . . 0.0 112.633 169.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -66.96 -29.56 69.45 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.114 -0.992 . . . . 0.0 112.622 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -77.58 -29.46 52.09 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.171 0.896 . . . . 0.0 112.424 168.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.95 -34.68 73.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.414 1.085 . . . . 0.0 113.077 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.028 1.331 . . . . 0.0 112.128 178.732 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.06 -47.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 128.632 2.773 . . . . 0.0 116.124 168.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.64 -0.79 10.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.729 2.012 . . . . 0.0 113.331 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -138.25 139.77 39.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.608 1.563 . . . . 0.0 111.224 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -64.36 154.34 35.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.043 1.337 . . . . 0.0 112.802 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -129.29 24.8 5.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.273 1.429 . . . . 0.0 112.848 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.85 149.75 47.55 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.702 -1.249 . . . . 0.0 114.209 -172.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.61 -138.64 21.93 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.824 1.202 . . . . 0.0 112.375 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -60.06 -25.8 65.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -59.14 -21.65 59.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.004 0.922 . . . . 0.0 113.143 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.25 -44.9 43.45 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.345 0.975 . . . . 0.0 112.203 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.51 -37.42 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 118.898 0.772 . . . . 0.0 111.155 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.22 -29.58 70.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 -42.16 37.06 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 112.273 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.72 -24.75 67.05 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.338 -0.851 . . . . 0.0 112.806 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.26 -33.57 53.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.594 1.088 . . . . 0.0 112.727 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.67 -21.23 24.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.211 1.404 . . . . 0.0 113.096 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.34 -31.03 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.205 1.402 . . . . 0.0 112.861 -168.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -141.74 -32.26 0.53 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -173.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.243 0 C-N-CA 124.246 0.927 . . . . 0.0 112.416 -175.101 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.11 -36.74 3.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.642 3.577 . . . . 0.0 112.128 -7.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -81.69 -12.89 58.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.193 1.397 . . . . 0.0 114.064 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -107.42 -178.46 3.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.93 1.692 . . . . 0.0 111.425 169.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -91.19 -17.26 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.998 0.919 . . . . 0.0 112.024 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.5 m 61.25 146.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.398 2.679 . . . . 0.0 116.477 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -81.5 155.71 25.65 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.738 1.215 . . . . 0.0 110.629 164.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.68 -31.74 69.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.662 0.785 . . . . 0.0 112.923 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -55.14 -37.17 66.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.32 1.048 . . . . 0.0 113.128 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.61 -33.76 76.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.535 -0.728 . . . . 0.0 111.395 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.61 -37.36 62.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.426 1.09 . . . . 0.0 110.8 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.35 -28.03 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.98 -1.075 . . . . 0.0 113.053 172.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -63.9 -29.15 70.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.771 1.169 . . . . 0.0 112.589 170.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.79 -31.06 35.88 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.967 0.907 . . . . 0.0 112.333 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.03 -35.79 77.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.557 1.143 . . . . 0.0 112.606 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 124.71 1.204 . . . . 0.0 112.407 179.516 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 1.4 p 55.34 -19.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 130.514 3.525 . . . . 0.0 118.758 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.98 -10.19 4.33 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.816 1.646 . . . . 0.0 114.347 -174.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -140.66 136.97 33.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.56 1.544 . . . . 0.0 109.522 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -64.02 142.24 58.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.226 1.41 . . . . 0.0 111.724 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.85 -18.53 34.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -73.13 -20.24 60.97 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -163.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -65.21 3.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.258 0.932 . . . . 0.0 113.613 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -151.02 13.71 0.7 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.787 1.235 . . . . 0.0 113.036 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -113.65 -22.6 10.17 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -156.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.2 -36.63 68.62 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.412 1.485 . . . . 0.0 112.946 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 m -68.01 -38.03 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.255 0.622 . . . . 0.0 112.4 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.6 -39.6 64.47 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 111.103 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.62 94.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.128 0.571 . . . . 0.0 111.591 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.61 -33.83 73.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.291 -0.861 . . . . 0.0 113.197 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -61.36 -39.11 89.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.133 1.333 . . . . 0.0 112.448 168.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.92 -30.91 58.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -88.23 -38.84 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.918 1.287 . . . . 0.0 112.383 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.6 t -85.79 -27.26 25.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.973 . . . . 0.0 113.247 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.721 0 O-C-N 121.201 -0.937 . . . . 0.0 112.352 169.211 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 121.052 0.453 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.38 -33.49 19.12 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.779 1.232 . . . . 0.0 113.61 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -86.99 -41.04 14.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.942 0.897 . . . . 0.0 111.707 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -123.24 150.87 42.91 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.947 1.299 . . . . 0.0 112.199 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.29 137.37 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.633 1.173 . . . . 0.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.74 93.44 4.32 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 122.173 0.987 . . . . 0.0 109.794 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -78.95 37.22 0.3 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.9 2.48 . . . . 0.0 114.569 -171.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt 64.13 -50.56 0.28 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.218 2.607 . . . . 0.0 113.534 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -50.72 -36.23 35.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.448 1.899 . . . . 0.0 113.438 172.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -65.57 -26.76 68.01 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.97 0.908 . . . . 0.0 113.012 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.1 mt -77.82 -27.15 49.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.492 1.117 . . . . 0.0 113.126 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.3 -23.13 55.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.54 1.136 . . . . 0.0 113.472 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -57.84 -25.84 61.23 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.668 1.187 . . . . 0.0 112.994 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.5 12.72 35.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 114.299 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.76 1.73 29.13 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.465 1.106 . . . . 0.0 113.981 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 111.061 179.248 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t 48.44 32.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 126.944 2.098 . . . . 0.0 113.888 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 49.21 47.65 21.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.102 1.761 . . . . 0.0 113.459 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.85 161.23 14.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.996 1.319 . . . . 0.0 113.908 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -77.54 95.87 4.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.584 1.154 . . . . 0.0 109.504 159.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.17 85.37 2.39 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.894 0.854 . . . . 0.0 110.363 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.72 131.54 41.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.518 1.527 . . . . 0.0 111.227 -164.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.25 -27.94 0.56 Allowed Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.708 1.623 . . . . 0.0 115.445 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -152.68 -179.49 7.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.069 2.148 . . . . 0.0 110.787 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t60 64.56 -32.63 0.14 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 128.534 2.734 . . . . 0.0 116.745 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -43.98 81.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.472 1.487 . . . . 0.0 113.738 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -36.0 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.754 -0.591 . . . . 0.0 112.113 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.694 0.798 . . . . 0.0 111.214 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.39 98.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.099 0.56 . . . . 0.0 111.742 172.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.59 -33.58 74.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.026 -1.046 . . . . 0.0 113.516 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.46 -33.26 75.18 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.796 1.18 . . . . 0.0 112.649 169.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -81.87 -35.02 29.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.428 1.091 . . . . 0.0 113.283 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.89 -36.57 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.075 1.35 . . . . 0.0 112.09 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -124.34 50.65 1.66 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.768 1.627 . . . . 0.0 112.836 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 O-C-N 118.071 -2.893 . . . . 0.0 112.28 9.336 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.9 p -80.91 8.96 7.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.14 2.576 . . . . 0.0 114.635 -0.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -57.84 -29.38 64.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.67 1.588 . . . . 0.0 113.899 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -128.63 166.69 18.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.965 1.706 . . . . 0.0 110.675 166.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -80.51 78.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 108.532 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -68.75 153.55 43.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -168.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.5 p -92.77 166.89 12.22 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.342 1.457 . . . . 0.0 112.453 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.4 mt -58.56 -33.25 69.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.72 0.808 . . . . 0.0 112.378 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -62.46 -37.37 85.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.823 1.249 . . . . 0.0 112.572 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.81 -38.61 70.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.592 -0.692 . . . . 0.0 111.448 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.08 -26.89 67.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.23 -23.3 63.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.6 1.091 . . . . 0.0 113.895 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -64.93 -22.18 66.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.297 -0.877 . . . . 0.0 113.192 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -81.73 -18.46 44.23 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.303 1.041 . . . . 0.0 113.064 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.8 m -81.11 -19.36 43.77 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -167.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 124.111 0.964 . . . . 0.0 111.824 -179.536 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.58 151.0 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.432 1.493 . . . . 0.0 110.794 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.25 42.33 0.81 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.848 1.259 . . . . 0.0 113.319 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.82 164.86 32.33 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.22 1.408 . . . . 0.0 112.225 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -55.26 129.45 38.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.344 1.058 . . . . 0.0 110.507 169.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.76 13.89 1.95 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -152.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.06 166.7 22.95 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.934 -1.104 . . . . 0.0 112.006 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 40.16 8.07 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.665 -0.647 . . . . 0.0 112.532 -165.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m 64.32 -1.98 0.67 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.701 2.4 . . . . 0.0 117.087 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.47 -35.99 79.18 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.181 1.355 . . . . 0.0 112.393 175.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.43 -37.18 86.61 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.432 1.093 . . . . 0.0 112.052 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -69.46 -47.96 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.455 0.702 . . . . 0.0 110.258 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.94 -37.22 83.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.543 0.737 . . . . 0.0 112.282 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -51.81 59.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.991 0.916 . . . . 0.0 111.658 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.14 -35.06 79.03 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.227 -0.921 . . . . 0.0 112.813 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.58 -20.51 64.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.29 -35.14 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.084 1.353 . . . . 0.0 113.068 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.7 -40.65 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.077 1.351 . . . . 0.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -88.51 -44.75 10.46 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.161 0.584 . . . . 0.0 112.2 175.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 C-N-CA 123.565 0.603 . . . . 0.0 112.625 175.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 CA--C 1.55 0.97 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -121.2 -11.78 8.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.908 1.283 . . . . 0.0 114.43 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -70.18 -33.65 72.0 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.265 -0.897 . . . . 0.0 111.033 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -153.31 164.4 38.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.863 2.065 . . . . 0.0 110.919 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -81.19 103.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -81.37 149.42 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -172.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -76.46 154.08 35.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.751 1.22 . . . . 0.0 111.987 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.69 -27.03 68.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.431 -0.793 . . . . 0.0 112.175 173.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.85 -36.13 82.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.438 -0.789 . . . . 0.0 112.39 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.27 -35.88 74.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.386 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.3 mt -64.83 -39.45 93.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.09 -20.51 62.69 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.755 -1.216 . . . . 0.0 113.557 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.23 -6.24 58.64 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.3 -39.97 64.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.857 1.208 . . . . 0.0 111.281 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -87.66 78.99 8.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 123.67 1.7 . . . . 0.0 111.958 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.92 -178.596 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -143.79 139.29 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.285 1.434 . . . . 0.0 110.873 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 53.97 26.83 6.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.795 1.638 . . . . 0.0 114.638 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -145.24 156.94 44.14 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.106 1.362 . . . . 0.0 112.662 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -69.15 152.92 44.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.431 1.092 . . . . 0.0 110.823 164.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -120.14 -5.56 9.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 -162.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 p -61.63 140.11 58.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.377 1.444 . . . . 0.0 113.022 -169.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.37 -145.06 18.81 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.746 0.688 . . . . 0.0 111.843 -160.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -63.42 -31.36 72.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -64.14 -35.7 81.64 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.153 0.888 . . . . 0.0 113.106 -174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.84 -39.88 79.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.422 1.089 . . . . 0.0 110.89 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -67.95 -45.11 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.65 0.78 . . . . 0.0 110.701 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.74 -40.72 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.609 -0.682 . . . . 0.0 112.079 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.43 80.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.961 0.504 . . . . 0.0 111.52 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.07 -30.65 69.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.075 -1.016 . . . . 0.0 113.287 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -66.21 -11.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.87 -32.53 6.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.926 1.29 . . . . 0.0 113.169 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -82.89 -40.6 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.103 1.361 . . . . 0.0 111.966 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.8 m -110.31 -6.42 15.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 113.797 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.072 1.32 . . . . 0.0 114.372 179.098 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 122.49 1.138 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -136.22 -36.14 0.74 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.373 1.869 . . . . 0.0 111.903 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -69.26 -28.9 66.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.723 1.209 . . . . 0.0 111.951 174.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.82 170.03 19.72 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.162 1.785 . . . . 0.0 111.076 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -89.69 130.2 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.526 1.53 . . . . 0.0 109.34 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.6 m -97.29 137.21 36.65 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -75.0 158.51 33.12 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.504 1.121 . . . . 0.0 111.278 165.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.02 -34.69 75.23 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.211 -0.931 . . . . 0.0 112.112 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.27 -37.82 78.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.787 0.835 . . . . 0.0 112.407 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.02 -40.3 71.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.211 0.605 . . . . 0.0 110.529 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.02 -34.2 77.85 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.04 -33.09 74.78 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.03 -1.044 . . . . 0.0 113.045 171.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.36 -25.58 67.64 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.19 -31.75 72.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.331 1.052 . . . . 0.0 112.97 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 t -94.2 -34.89 12.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.532 1.133 . . . . 0.0 112.967 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 124.808 1.243 . . . . 0.0 112.131 -178.88 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 p90 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -85.66 -21.68 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.733 1.213 . . . . 0.0 112.454 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -125.33 9.57 7.91 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.239 1.815 . . . . 0.0 113.862 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -148.23 160.58 42.8 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.393 1.477 . . . . 0.0 112.036 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -72.68 155.13 40.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.358 1.063 . . . . 0.0 110.762 166.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.6 -62.05 1.48 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.969 0.908 . . . . 0.0 110.556 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.0 m 62.26 -129.31 0.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.31 1.844 . . . . 0.0 113.637 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.83 -6.48 67.45 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.099 1.333 . . . . 0.0 115.396 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -125.43 179.52 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.321 1.848 . . . . 0.0 109.754 168.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.0 m80 62.34 -34.16 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.726 2.41 . . . . 0.0 117.484 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.29 -55.2 37.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.465 1.506 . . . . 0.0 113.477 -162.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -39.6 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 122.012 -0.43 . . . . 0.0 111.248 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.63 -49.62 62.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.335 0.654 . . . . 0.0 111.7 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -42.76 93.14 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.319 1.048 . . . . 0.0 111.967 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.12 -38.1 87.37 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.719 -0.613 . . . . 0.0 111.894 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -72.53 -36.47 68.32 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.0 -42.52 94.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 112.23 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.14 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.83 0.852 . . . . 0.0 111.622 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.64 0.85 18.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 170.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 C-N-CA 126.553 2.025 . . . . 0.0 114.585 178.589 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.2 -25.19 1.37 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -163.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -73.63 -39.45 64.52 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.191 -0.943 . . . . 0.0 111.212 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.6 m -130.42 156.21 45.13 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.373 1.869 . . . . 0.0 110.515 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' H ' HD11 ' A' ' 10' ' ' ILE . 2.4 mp -75.33 118.76 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.05 129.32 39.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.241 0.543 . . . . 0.0 111.959 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -68.02 157.21 35.65 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.998 0.919 . . . . 0.0 110.844 165.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.84 -30.37 67.62 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.145 -0.972 . . . . 0.0 112.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -59.83 -35.58 75.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.073 0.949 . . . . 0.0 112.786 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -77.55 -34.31 53.86 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.397 -0.814 . . . . 0.0 110.963 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.53 -42.92 91.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.489 0.316 . . . . 0.0 111.008 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.8 -34.23 71.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.453 1.101 . . . . 0.0 112.419 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.06 -24.01 65.93 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.338 -0.851 . . . . 0.0 112.955 173.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -80.91 -33.26 34.3 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.563 1.074 . . . . 0.0 112.178 168.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.7 m -74.89 -20.76 59.58 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.346 1.858 . . . . 0.0 110.651 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.27 129.46 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.431 -0.793 . . . . 0.0 112.915 -166.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -141.23 111.32 6.69 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.418 1.487 . . . . 0.0 109.382 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.51 145.7 54.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.151 2.58 . . . . 0.0 112.491 -1.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -149.5 19.46 0.93 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.226 3.01 . . . . 0.0 113.703 -0.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt 46.77 -133.1 1.11 Allowed 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.251 -0.905 . . . . 0.0 110.48 -149.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t 55.12 -177.12 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.872 1.669 . . . . 0.0 113.451 -168.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.71 -138.85 43.65 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.736 1.16 . . . . 0.0 113.207 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -68.32 -30.95 70.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.536 0.734 . . . . 0.0 112.841 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -70.72 -29.7 66.03 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.934 -1.103 . . . . 0.0 113.169 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.42 -45.42 91.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.612 0.642 . . . . 0.0 112.338 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.63 -36.48 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.777 -0.577 . . . . 0.0 111.456 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.81 -31.09 72.15 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.07 -48.11 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.108 0.867 . . . . 0.0 111.601 168.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.82 -29.88 71.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.269 -0.894 . . . . 0.0 113.006 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -56.01 -27.75 54.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.485 1.114 . . . . 0.0 113.11 172.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.28 -46.32 5.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.811 1.244 . . . . 0.0 111.928 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.47 -38.7 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.859 0.863 . . . . 0.0 111.7 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.15 6.45 11.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 O-C-N 121.118 -0.989 . . . . 0.0 113.924 169.259 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.19 -26.23 39.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.723 1.209 . . . . 0.0 112.96 175.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -121.08 -38.54 2.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.201 1.4 . . . . 0.0 112.846 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 m -94.4 154.79 17.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -95.53 110.28 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 114.61 15.97 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.806 0.843 . . . . 0.0 112.128 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -66.89 161.74 23.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 111.03 165.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -40.86 76.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.518 1.127 . . . . 0.0 111.193 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.76 -36.8 74.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.64 1.176 . . . . 0.0 113.121 172.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -75.08 -32.92 61.6 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.067 -1.021 . . . . 0.0 112.049 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.82 -37.31 87.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.072 0.396 . . . . 0.0 111.636 170.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.29 -30.19 71.38 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.027 -1.046 . . . . 0.0 112.543 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.6 -8.42 47.26 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -74.19 -19.38 60.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.349 0.977 . . . . 0.0 112.618 165.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.2 m -119.05 -21.59 7.6 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.122 1.769 . . . . 0.0 112.939 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.331 2.253 . . . . 0.0 112.712 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.67 -26.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.136 1.374 . . . . 0.0 113.663 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -82.0 -21.25 37.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.488 1.115 . . . . 0.0 113.766 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -139.1 169.11 18.39 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.762 1.625 . . . . 0.0 111.334 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -61.59 143.21 56.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.26 121.36 40.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.68 1.592 . . . . 0.0 108.518 173.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -156.26 136.45 12.91 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.45 -39.08 0.72 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.375 1.941 . . . . 0.0 114.889 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -135.27 167.65 20.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.81 2.444 . . . . 0.0 110.699 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 63.42 -28.87 0.09 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.264 2.626 . . . . 0.0 117.676 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.3 tp -56.15 -47.48 78.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.269 1.395 . . . . 0.0 112.228 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.45 -36.47 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 123.276 0.63 . . . . 0.0 112.269 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.91 -44.91 68.71 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 111.082 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.74 89.56 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.578 0.751 . . . . 0.0 111.53 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -66.61 -41.77 87.89 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.58 -30.09 70.3 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.36 0.982 . . . . 0.0 113.174 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.76 -36.14 50.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.825 0.85 . . . . 0.0 112.849 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.66 -46.6 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.855 1.262 . . . . 0.0 111.208 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -91.67 53.61 2.28 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.885 1.274 . . . . 0.0 111.229 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.352 0 C-N-CA 124.784 1.183 . . . . 0.0 115.274 -170.685 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.553 1.065 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.56 -24.83 61.17 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.808 -1.183 . . . . 0.0 112.861 169.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -126.6 -35.21 2.36 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.248 1.419 . . . . 0.0 113.366 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -90.98 176.12 6.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.24 1.416 . . . . 0.0 110.828 162.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -117.87 138.41 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.602 1.161 . . . . 0.0 110.251 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -132.21 166.63 21.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.927 1.691 . . . . 0.0 112.326 -172.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -137.87 178.8 6.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.002 1.321 . . . . 0.0 111.669 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.86 -42.98 38.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.124 1.77 . . . . 0.0 112.925 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -57.87 -34.89 70.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.332 1.053 . . . . 0.0 113.413 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -80.02 -41.22 26.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.66 0.784 . . . . 0.0 111.125 176.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -26.8 67.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -58.12 -29.07 65.23 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.245 -0.91 . . . . 0.0 113.187 170.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -16.0 62.8 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.868 1.213 . . . . 0.0 113.552 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.04 -13.91 59.89 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.924 1.29 . . . . 0.0 113.414 175.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.96 -40.94 0.22 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -170.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 111.655 179.734 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.278 5.6 p 53.61 -44.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 1 C-N-CA 132.437 4.295 . . . . 0.0 118.471 168.472 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -122.42 -7.71 8.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.88 2.072 . . . . 0.0 112.714 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -133.83 150.14 51.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.987 1.315 . . . . 0.0 113.131 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -66.75 157.14 33.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.669 1.987 . . . . 0.0 113.24 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -137.07 121.96 18.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.648 1.579 . . . . 0.0 109.919 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -142.78 149.64 38.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.552 1.141 . . . . 0.0 111.403 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.46 -132.44 42.98 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 123.836 0.731 . . . . 0.0 113.673 175.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.04 -33.81 67.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.239 1.016 . . . . 0.0 113.563 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -69.03 -34.31 75.02 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.408 -0.807 . . . . 0.0 112.11 177.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -38.06 73.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.121 0.568 . . . . 0.0 111.56 171.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.64 -44.85 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.096 0.862 . . . . 0.0 111.174 174.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.98 -42.72 97.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.501 -0.75 . . . . 0.0 112.189 174.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.62 90.55 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.52 -0.738 . . . . 0.0 112.587 175.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.83 -38.33 86.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.024 0.93 . . . . 0.0 111.963 174.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -70.14 -26.04 63.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.41 -34.47 76.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.489 1.116 . . . . 0.0 112.933 169.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.4 t -92.4 -46.04 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.743 -174.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.66 96.73 6.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.93 1.292 . . . . 0.0 109.457 174.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.399 0 C-N-CA 123.903 0.764 . . . . 0.0 114.208 -177.023 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.4 142.23 34.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.114 1.324 . . . . 0.0 111.157 168.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p 54.15 17.91 1.6 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.027 1.731 . . . . 0.0 114.703 -170.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -153.29 151.94 30.58 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.642 1.977 . . . . 0.0 111.065 -171.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.1 mt -76.06 133.89 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.553 0.741 . . . . 0.0 110.901 -173.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -134.64 140.3 45.95 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.239 1.016 . . . . 0.0 113.121 171.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.66 158.64 32.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.932 1.293 . . . . 0.0 111.197 162.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.85 -21.26 65.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.162 -0.961 . . . . 0.0 113.477 171.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.57 -30.18 70.5 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 112.232 167.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.02 -33.18 17.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.187 0.995 . . . . 0.0 111.292 -178.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.25 -21.98 60.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 173.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.9 -22.37 25.31 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 169.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -64.5 -24.63 67.68 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.14 1.336 . . . . 0.0 113.138 175.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -75.67 -13.66 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 112.796 171.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.8 -48.37 2.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.816 1.246 . . . . 0.0 113.422 -166.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.512 1.125 . . . . 0.0 111.788 -169.761 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.43 -13.48 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.654 1.582 . . . . 0.0 113.476 -168.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -137.77 20.26 2.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.95 1.7 . . . . 0.0 113.528 -171.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -139.18 170.15 16.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.408 1.483 . . . . 0.0 112.341 -177.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -77.9 -11.19 59.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 59.39 -34.9 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 130.732 3.613 . . . . 0.0 118.852 171.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -80.64 138.4 36.41 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.896 -1.752 . . . . 0.0 113.416 -159.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.45 -31.57 8.81 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 128.07 2.748 . . . . 0.0 114.807 -7.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.51 -50.49 58.56 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.178 0.989 . . . . 0.0 113.015 -167.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -68.06 -29.09 67.97 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.576 -0.702 . . . . 0.0 112.356 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.34 -47.61 78.7 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.658 1.183 . . . . 0.0 110.704 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.58 -44.3 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.577 0.751 . . . . 0.0 111.293 176.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.34 -39.92 95.87 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.469 -0.769 . . . . 0.0 112.835 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.46 85.81 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.646 -0.659 . . . . 0.0 111.801 174.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.73 -23.72 62.49 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -74.02 -3.62 30.39 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 167.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -116.63 -39.72 3.28 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.159 1.384 . . . . 0.0 112.86 176.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.58 -30.37 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.233 1.413 . . . . 0.0 111.272 173.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -128.83 -165.88 1.56 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.55 1.94 . . . . 0.0 109.536 169.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 C-N-CA 125.622 1.582 . . . . 0.0 113.496 -178.605 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.8 137.61 54.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.349 1.46 . . . . 0.0 110.265 -173.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.264 14.3 p 55.51 -34.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 128.653 2.781 . . . . 0.0 115.974 -161.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -90.69 152.76 20.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.829 1.652 . . . . 0.0 111.615 160.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.82 146.86 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.465 1.506 . . . . 0.0 112.192 -168.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.76 166.47 22.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.092 1.357 . . . . 0.0 113.256 178.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -141.12 172.26 12.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.722 2.009 . . . . 0.0 110.475 171.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.67 -29.6 62.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 176.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.12 -28.36 70.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.069 0.948 . . . . 0.0 113.091 171.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.66 -47.17 27.48 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.607 -0.683 . . . . 0.0 109.879 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.97 -44.05 94.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.672 0.389 . . . . 0.0 111.535 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.79 -23.98 66.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.131 -0.981 . . . . 0.0 113.618 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -82.02 -28.0 32.77 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.031 1.332 . . . . 0.0 112.451 174.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -72.76 -30.16 63.91 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.28 -0.887 . . . . 0.0 112.068 174.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.1 m -66.91 -39.15 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.669 0.788 . . . . 0.0 112.828 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.026 1.33 . . . . 0.0 110.873 174.575 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.85 129.43 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.464 1.506 . . . . 0.0 111.435 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.02 38.43 12.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.91 2.084 . . . . 0.0 113.876 178.6 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 169.25 21.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 113.211 -175.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -72.73 143.66 47.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.806 169.015 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 tp -144.99 62.53 1.3 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.177 1.391 . . . . 0.0 110.442 -174.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.11 163.82 27.58 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.255 1.022 . . . . 0.0 112.587 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.74 -155.96 49.66 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.451 1.024 . . . . 0.0 115.448 167.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -60.99 -23.5 65.43 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.764 1.226 . . . . 0.0 114.135 -175.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -59.94 -27.22 66.6 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.085 0.954 . . . . 0.0 112.618 174.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.41 -51.13 62.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.07 0.948 . . . . 0.0 112.07 177.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -72.17 -32.43 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.057 0.543 . . . . 0.0 112.388 -177.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -63.73 -45.75 88.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.02 0.528 . . . . 0.0 111.353 170.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.88 82.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 112.511 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.84 -44.91 96.32 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.405 -0.809 . . . . 0.0 111.74 174.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.54 -36.53 84.5 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 172.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.35 -35.05 73.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.167 0.894 . . . . 0.0 113.403 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -74.26 -47.25 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.472 1.109 . . . . 0.0 111.448 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.51 -27.69 20.14 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -168.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 C-N-CA 124.552 1.072 . . . . 0.0 114.287 168.379 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.7 -38.74 6.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.161 1.785 . . . . 0.0 111.956 167.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -82.56 -28.99 30.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.376 1.07 . . . . 0.0 112.812 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -133.3 -178.56 5.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.731 2.012 . . . . 0.0 110.725 173.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mt -111.74 129.28 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.202 1.401 . . . . 0.0 109.762 -170.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.02 138.02 45.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.216 1.006 . . . . 0.0 113.639 -170.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -89.8 162.99 15.24 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.961 1.704 . . . . 0.0 112.235 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.8 -36.39 74.4 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.046 0.938 . . . . 0.0 113.458 -172.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.7 -37.63 76.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.491 1.116 . . . . 0.0 112.728 175.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.3 -31.69 71.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 111.078 178.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.2 -43.06 65.06 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.119 0.568 . . . . 0.0 111.273 175.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.89 -31.58 66.89 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.275 -0.891 . . . . 0.0 112.896 173.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.16 -20.82 65.8 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 177.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -85.24 -25.44 27.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.277 0.944 . . . . 0.0 112.851 170.057 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -80.25 -30.18 38.43 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.495 1.118 . . . . 0.0 112.913 175.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.25 1.42 . . . . 0.0 112.464 178.075 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.284 12.2 m 52.33 -7.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 130.223 3.409 . . . . 0.0 118.766 172.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -157.03 135.02 11.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.455 1.902 . . . . 0.0 109.759 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -78.96 -152.57 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.57 2.748 . . . . 0.0 110.838 -8.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -51.33 146.82 6.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.554 1.942 . . . . 0.0 112.434 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.9 mt -88.53 12.22 15.07 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.183 0.993 . . . . 0.0 113.451 -174.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.65 164.03 20.11 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.42 -1.425 . . . . 0.0 113.05 -178.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.49 41.81 24.06 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 113.273 -174.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m 62.69 7.91 2.74 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.123 2.169 . . . . 0.0 116.658 -178.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -68.02 -27.93 66.97 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.582 -1.324 . . . . 0.0 111.614 169.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.91 -48.26 82.06 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.046 1.738 . . . . 0.0 112.945 177.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.51 -36.43 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.467 0.576 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.61 -43.86 97.75 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.84 -0.537 . . . . 0.0 111.445 171.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.16 98.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.35 0.66 . . . . 0.0 111.737 174.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.46 -46.56 89.53 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.148 0.979 . . . . 0.0 112.235 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.09 -44.61 96.3 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.968 0.507 . . . . 0.0 112.164 177.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.41 -31.65 65.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -71.88 -47.32 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.256 1.022 . . . . 0.0 111.513 175.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -88.97 -32.03 17.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -169.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.502 0 N-CA-C 116.785 1.474 . . . . 0.0 116.785 161.021 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 118.48 -0.771 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m 37.51 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.444 3.498 . . . . 0.0 117.266 170.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -61.64 -22.44 65.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.56 1.544 . . . . 0.0 112.798 175.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -129.95 160.43 33.62 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.921 1.688 . . . . 0.0 113.039 176.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.3 mt -91.82 108.82 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.502 1.121 . . . . 0.0 108.235 175.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -72.75 141.13 48.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -88.33 163.95 15.79 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.264 1.426 . . . . 0.0 110.946 161.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -53.02 -41.28 64.56 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.336 1.455 . . . . 0.0 112.089 -177.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.88 -35.74 64.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.535 1.134 . . . . 0.0 113.496 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -79.44 -35.86 39.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.105 0.962 . . . . 0.0 111.128 178.061 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.02 -34.29 75.93 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.65 0.78 . . . . 0.0 112.293 176.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.44 -22.95 64.02 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.21 -32.39 71.63 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.065 -1.022 . . . . 0.0 112.653 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -76.43 -9.35 58.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.285 1.034 . . . . 0.0 113.327 178.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 m -75.3 -13.85 60.45 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.718 1.207 . . . . 0.0 111.979 -179.246 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.87 -45.12 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.119 1.768 . . . . 0.0 112.838 -176.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -156.22 158.63 37.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.145 0.978 . . . . 0.0 112.73 -172.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -92.74 88.36 6.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.763 1.225 . . . . 0.0 109.889 162.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -121.4 173.61 7.26 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.26 3.424 . . . . 0.0 112.335 8.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.38 86.83 5.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 110.343 173.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -140.85 151.61 44.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.559 1.144 . . . . 0.0 110.243 174.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.63 -128.44 47.46 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.601 -0.687 . . . . 0.0 112.623 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -58.68 -32.44 69.13 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -69.19 -34.13 74.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.201 0.91 . . . . 0.0 112.766 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.73 -43.2 80.55 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.044 0.538 . . . . 0.0 110.888 170.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.33 -46.56 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.392 0.677 . . . . 0.0 111.059 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.6 -45.05 95.73 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.922 0.783 . . . . 0.0 112.279 173.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.55 93.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.986 0.514 . . . . 0.0 112.343 178.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.11 -33.36 59.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.341 -0.838 . . . . 0.0 113.056 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.38 -32.63 71.48 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.68 1.582 . . . . 0.0 112.541 171.061 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.74 -15.13 59.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -120.02 -44.04 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.625 1.17 . . . . 0.0 112.979 -172.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.8 -20.94 13.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.58 1.552 . . . . 0.0 114.079 -178.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.769 0 C-N-CA 124.43 1.014 . . . . 0.0 114.613 -168.11 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 120.953 0.406 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 44.38 -88.67 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.93 3.292 . . . . 0.0 116.703 165.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -73.19 -16.14 61.43 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.528 1.131 . . . . 0.0 113.287 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -106.9 161.99 14.22 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.806 1.642 . . . . 0.0 112.09 172.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.71 129.26 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.436 1.494 . . . . 0.0 109.466 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m -115.36 84.47 2.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.989 0.915 . . . . 0.0 110.553 174.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -66.16 171.24 4.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.668 1.187 . . . . 0.0 111.991 170.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -46.32 -41.45 13.31 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.009 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.48 -39.02 89.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.25 -31.96 58.61 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 111.857 175.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.94 -32.98 74.95 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.987 -0.445 . . . . 0.0 112.03 171.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.7 -24.76 61.04 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 113.17 166.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -67.12 -28.6 68.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.643 -1.286 . . . . 0.0 112.337 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -63.14 -16.05 58.77 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.995 -1.066 . . . . 0.0 113.75 171.405 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.66 -14.54 59.96 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.741 1.216 . . . . 0.0 111.737 -179.903 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -67.01 -16.76 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -163.262 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -152.01 50.18 0.79 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.737 2.015 . . . . 0.0 110.18 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -132.31 160.94 34.79 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -168.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -66.18 132.37 48.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.688 1.195 . . . . 0.0 110.341 162.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.2 mt -137.88 96.76 3.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.978 0.911 . . . . 0.0 110.995 -173.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.56 -151.76 0.21 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.191 1.396 . . . . 0.0 111.952 -177.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.23 135.83 39.85 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.951 -1.093 . . . . 0.0 111.227 165.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 p 59.35 162.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.367 1.867 . . . . 0.0 114.415 -161.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 63.02 -38.01 0.16 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.725 2.41 . . . . 0.0 116.0 -172.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.28 -40.91 78.73 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.896 1.226 . . . . 0.0 111.439 167.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.66 -49.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.032 1.333 . . . . 0.0 110.172 176.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.44 -38.87 85.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.77 0.828 . . . . 0.0 111.928 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.29 99.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.721 0.809 . . . . 0.0 112.024 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -71.29 -33.83 70.09 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.708 -1.245 . . . . 0.0 113.078 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.81 6.77 2.97 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 169.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.97 -8.55 10.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.636 1.574 . . . . 0.0 113.821 167.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -126.36 -55.65 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.807 1.243 . . . . 0.0 113.189 -173.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.5 t -85.55 -33.39 21.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.654 0.661 . . . . 0.0 112.336 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 C-N-CA 125.234 1.397 . . . . 0.0 112.233 171.501 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 CA--C 1.547 0.834 0 CA-C-O 121.294 0.568 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -87.11 -25.71 24.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.255 1.422 . . . . 0.0 111.896 177.012 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -117.63 136.14 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.789 1.636 . . . . 0.0 109.027 162.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t 56.58 153.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.693 1.197 . . . . 0.0 113.584 -148.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.2 mt -89.6 -24.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.583 1.153 . . . . 0.0 111.822 -173.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m 62.01 160.43 0.07 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.303 2.241 . . . . 0.0 115.917 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -97.64 153.41 18.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.559 1.544 . . . . 0.0 110.629 164.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -25.19 68.14 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.056 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.14 -34.77 66.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.775 0.83 . . . . 0.0 112.853 171.061 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -71.08 -36.86 72.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.42 -0.8 . . . . 0.0 111.027 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.33 -45.76 79.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.615 0.766 . . . . 0.0 110.721 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.69 -33.71 68.66 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.519 -0.738 . . . . 0.0 112.411 172.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.61 -23.62 64.48 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.223 -0.923 . . . . 0.0 113.453 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.0 -11.73 60.9 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.838 -1.164 . . . . 0.0 113.207 169.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -109.77 -0.53 18.41 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.413 2.285 . . . . 0.0 113.276 175.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 126.12 1.768 . . . . 0.0 112.024 -174.335 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.54 0.564 0 CA-C-O 121.167 0.508 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -112.62 -1.8 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.951 1.7 . . . . 0.0 111.535 161.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -123.84 5.31 8.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.684 1.994 . . . . 0.0 112.656 173.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -144.04 142.91 30.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.945 1.698 . . . . 0.0 110.585 178.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -65.47 152.16 44.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.113 1.765 . . . . 0.0 113.45 -174.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.36 96.51 6.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.818 1.647 . . . . 0.0 110.097 176.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -95.55 -168.91 1.86 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.373 1.469 . . . . 0.0 112.15 176.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.77 137.86 30.71 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 121.301 -0.874 . . . . 0.0 113.348 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m 61.83 -39.89 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.662 2.385 . . . . 0.0 115.86 -167.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -61.75 -41.8 98.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.039 1.291 . . . . 0.0 111.731 176.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.5 -36.91 85.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.182 1.393 . . . . 0.0 112.4 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.73 -47.86 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.453 0.701 . . . . 0.0 110.147 177.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.81 -39.95 95.84 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.277 0.631 . . . . 0.0 112.081 174.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.78 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.361 0.664 . . . . 0.0 112.324 176.039 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.39 -39.23 91.97 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.356 -0.84 . . . . 0.0 112.334 178.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.52 -17.31 64.74 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.52 -43.56 10.15 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.493 1.117 . . . . 0.0 112.4 171.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.13 -40.04 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.944 1.297 . . . . 0.0 112.529 -174.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -86.7 5.3 36.84 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.805 0 CA-C-N 120.064 1.302 . . . . 0.0 111.118 170.083 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 122.212 1.006 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 153.25 25.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.549 1.94 . . . . 0.0 112.579 -171.186 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.304 4.4 t 56.23 -43.83 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 130.098 3.359 . . . . 0.0 116.981 -176.17 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 p -109.13 155.35 21.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.176 1.791 . . . . 0.0 111.582 167.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mt -93.79 123.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 110.709 -175.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -75.66 154.19 36.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.074 1.75 . . . . 0.0 111.699 172.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.2 p -80.83 154.56 27.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.212 -0.93 . . . . 0.0 111.099 165.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.06 -30.92 69.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.01 0.924 . . . . 0.0 112.513 -177.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -53.33 -32.9 51.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.645 1.578 . . . . 0.0 113.616 171.258 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -71.5 -26.87 62.86 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.187 -0.946 . . . . 0.0 112.253 -177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.12 -25.63 67.07 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.347 1.059 . . . . 0.0 112.818 -177.512 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.46 -31.56 69.43 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.525 1.13 . . . . 0.0 113.137 170.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.89 -28.16 68.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.257 -0.902 . . . . 0.0 112.877 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.24 -25.58 65.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.099 . . . . 0.0 112.568 173.215 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 t -83.23 -24.29 32.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.636 1.174 . . . . 0.0 112.507 178.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 p30 . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 125.55 1.54 . . . . 0.0 111.763 177.46 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.83 106.87 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 125.407 1.483 . . . . 0.0 110.709 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -132.49 149.47 52.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.759 2.824 . . . . 0.0 112.221 -5.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -157.64 -177.96 6.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.997 2.119 . . . . 0.0 110.728 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -71.18 131.11 43.05 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.106 -0.996 . . . . 0.0 109.925 160.194 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -107.53 78.37 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.22 1.008 . . . . 0.0 108.359 172.022 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -145.05 130.09 18.4 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.182 1.393 . . . . 0.0 110.915 -176.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.13 -32.91 0.53 Allowed Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.868 1.699 . . . . 0.0 115.684 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -145.13 170.5 16.11 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.044 2.137 . . . . 0.0 110.772 174.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m80 60.2 -22.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.766 2.826 . . . . 0.0 117.081 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.3 tp -52.08 -51.83 55.17 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.624 1.57 . . . . 0.0 112.94 -172.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.6 -48.96 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.235 0.925 . . . . 0.0 112.492 -173.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.3 -37.66 83.73 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.222 -0.924 . . . . 0.0 112.065 176.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.225 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -68.87 -49.45 58.17 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.412 -0.805 . . . . 0.0 111.507 171.444 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -62.84 -40.78 98.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.598 0.759 . . . . 0.0 112.875 -172.323 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.26 -17.03 61.37 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -85.44 -45.16 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.146 0.978 . . . . 0.0 111.412 177.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 t -81.91 -16.6 50.05 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 176.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.532 0 C-N-CA 125.433 1.492 . . . . 0.0 115.849 172.775 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -143.75 160.1 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.242 2.217 . . . . 0.0 110.355 174.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.301 3.2 t 57.02 -42.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 130.301 3.44 . . . . 0.0 117.307 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.6 m -93.04 153.7 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.712 163.565 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -95.74 114.07 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.888 0.875 . . . . 0.0 109.207 -179.462 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -76.45 146.81 38.32 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.022 1.329 . . . . 0.0 113.106 -178.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.48 165.81 13.59 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.082 1.353 . . . . 0.0 111.32 168.186 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.28 -29.64 64.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.869 0.868 . . . . 0.0 112.736 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -53.45 -37.14 62.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.697 1.199 . . . . 0.0 113.171 173.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -73.27 -35.18 66.15 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.529 -0.732 . . . . 0.0 111.469 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -71.43 -40.91 70.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.362 0.665 . . . . 0.0 111.056 175.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.21 -28.32 69.06 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.177 -0.952 . . . . 0.0 112.792 173.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -67.95 -30.52 69.84 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.114 0.87 . . . . 0.0 112.717 173.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -76.61 -33.94 58.4 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.259 170.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.8 m -66.44 -37.47 85.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.823 0.849 . . . . 0.0 112.606 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 125.869 1.668 . . . . 0.0 110.57 178.18 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.548 0.689 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t 64.9 -35.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 127.884 2.474 . . . . 0.0 114.399 -167.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.8 -34.5 77.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.297 1.439 . . . . 0.0 112.367 165.318 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -154.02 169.04 24.46 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.84 1.656 . . . . 0.0 111.697 -172.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -61.73 153.94 26.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.969 1.308 . . . . 0.0 113.409 -177.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.73 20.68 12.81 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.699 1.6 . . . . 0.0 113.079 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.14 151.55 42.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.558 1.543 . . . . 0.0 114.48 -170.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.32 -85.29 1.57 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.899 1.238 . . . . 0.0 111.702 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 70.0 m -133.64 -13.27 2.6 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -178.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.5 -27.12 69.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.902 1.228 . . . . 0.0 113.123 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -63.41 -26.02 68.55 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 173.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.68 -44.19 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.387 0.994 . . . . 0.0 110.179 174.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.83 -29.74 70.26 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.382 0.673 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.95 -44.05 56.22 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.329 1.052 . . . . 0.0 112.262 169.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.93 -35.93 79.85 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.262 1.025 . . . . 0.0 112.268 -178.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.23 -6.08 12.5 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.184 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.1 -22.24 10.12 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.619 1.567 . . . . 0.0 113.333 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -78.94 -35.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.445 1.098 . . . . 0.0 110.851 169.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 p -141.68 76.93 1.57 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.933 2.093 . . . . 0.0 110.735 165.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 O-C-N 118.366 -2.709 . . . . 0.0 114.809 -0.633 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 40.59 -91.31 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.757 2.823 . . . . 0.0 115.93 176.174 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 m -61.99 -25.13 67.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.498 1.519 . . . . 0.0 112.855 177.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -105.22 153.59 21.37 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.1 1.76 . . . . 0.0 112.043 175.1 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.94 143.35 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.427 1.091 . . . . 0.0 110.625 177.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 m -132.87 162.73 30.8 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.634 1.574 . . . . 0.0 112.422 177.506 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -144.84 177.6 8.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.517 2.327 . . . . 0.0 109.148 173.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.43 -41.95 41.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.132 1.373 . . . . 0.0 113.04 -177.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -57.77 -35.78 71.25 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.707 1.203 . . . . 0.0 113.327 176.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -80.54 -38.07 30.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.787 0.835 . . . . 0.0 111.242 176.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.4 -35.24 79.82 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.453 0.701 . . . . 0.0 112.67 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.71 -34.85 54.27 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.687 1.195 . . . . 0.0 112.942 170.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.45 -16.38 62.92 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 -24.58 44.82 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.11 0.868 . . . . 0.0 113.161 176.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -114.97 -31.16 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.779 0.831 . . . . 0.0 111.619 176.908 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.538 0.685 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.23 -28.53 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.323 1.449 . . . . 0.0 112.642 -177.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 48.76 36.46 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.963 2.105 . . . . 0.0 114.721 174.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -141.23 106.78 5.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.282 1.833 . . . . 0.0 108.844 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.6 m80 49.71 50.92 17.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.52 1.528 . . . . 0.0 114.669 167.321 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.08 111.25 1.25 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.532 1.133 . . . . 0.0 111.302 -173.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -143.24 151.04 40.12 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.93 1.292 . . . . 0.0 110.961 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.96 -127.37 40.97 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 123.434 0.54 . . . . 0.0 112.297 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -49.09 -43.77 41.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.333 . . . . 0.0 113.123 177.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.98 -21.07 62.35 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -176.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -86.77 -47.9 8.7 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.213 0.605 . . . . 0.0 111.543 172.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 m -69.5 -40.81 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.537 0.608 . . . . 0.0 112.291 -175.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.52 -33.16 74.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.311 0.96 . . . . 0.0 112.17 175.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.43 58.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.658 -0.651 . . . . 0.0 111.715 175.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.36 -32.91 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.019 -1.05 . . . . 0.0 112.394 173.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -65.77 -20.98 66.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.468 1.031 . . . . 0.0 113.711 173.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.73 -23.66 13.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.511 1.524 . . . . 0.0 113.047 179.426 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -90.15 -50.28 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.879 1.272 . . . . 0.0 111.783 175.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -97.59 30.21 3.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.164 1.786 . . . . 0.0 112.028 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.195 0 C-N-CA 124.659 1.123 . . . . 0.0 112.764 -175.468 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.57 159.32 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 111.893 176.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.71 -48.29 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.57 0.748 . . . . 0.0 112.554 -172.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -75.99 -30.03 58.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.6 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.908 2.929 . . . . 0.0 118.908 167.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t 56.49 -108.4 0.43 Allowed 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 120.692 1.587 . . . . 0.0 110.76 -161.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m 55.14 18.26 2.3 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 p -90.9 -61.7 1.61 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.044 1.338 . . . . 0.0 111.246 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -118.81 161.86 19.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.01 2.124 . . . . 0.0 109.273 165.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -59.49 115.55 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.07 122.77 22.33 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -157.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -69.45 154.32 42.19 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.94 0.896 . . . . 0.0 110.632 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.67 -29.9 70.98 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.235 -0.916 . . . . 0.0 112.41 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -56.36 -35.88 68.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.44 1.096 . . . . 0.0 113.142 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.42 -36.17 58.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.844 0.857 . . . . 0.0 111.038 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.47 -32.07 70.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.401 1.08 . . . . 0.0 112.618 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.75 -20.38 56.21 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -56.82 -34.88 68.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.847 0.859 . . . . 0.0 112.282 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -93.04 -19.86 21.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.587 1.555 . . . . 0.0 112.599 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -74.64 -34.44 62.75 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.492 0.717 . . . . 0.0 111.8 169.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 C--O 1.239 0.527 0 C-N-CA 125.903 1.681 . . . . 0.0 110.596 -178.046 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 120.95 0.405 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -133.76 -45.17 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.283 1.833 . . . . 0.0 110.227 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -110.35 172.26 6.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.133 1.773 . . . . 0.0 111.205 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.09 131.08 48.36 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.816 0.846 . . . . 0.0 111.431 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -154.44 165.41 36.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.317 3.047 . . . . 0.0 109.353 -13.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.02 154.39 35.77 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.549 1.54 . . . . 0.0 110.856 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m 64.13 138.41 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.959 2.504 . . . . 0.0 114.508 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.87 -3.85 65.13 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 128.117 2.77 . . . . 0.0 114.944 -6.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -122.68 -168.05 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.529 1.932 . . . . 0.0 111.023 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 61.43 -28.64 0.06 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.933 2.893 . . . . 0.0 116.855 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.95 -44.52 97.17 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.194 1.361 . . . . 0.0 111.998 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.77 -37.91 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 122.975 0.51 . . . . 0.0 111.858 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.76 -38.28 86.28 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.705 0.684 . . . . 0.0 112.103 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -48.88 78.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.212 0.605 . . . . 0.0 110.903 170.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.09 -38.22 85.3 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.099 -1.001 . . . . 0.0 113.249 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -57.64 -29.78 64.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.259 0.936 . . . . 0.0 112.773 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.71 -32.49 16.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.255 1.022 . . . . 0.0 113.347 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -87.21 -36.3 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.877 1.271 . . . . 0.0 112.844 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -85.45 69.27 10.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 149.37 170.62 17.13 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.554 1.55 . . . . 0.0 113.352 169.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -17.07 64.59 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -135.0 36.12 3.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.63 1.972 . . . . 0.0 110.467 163.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.64 -162.46 50.44 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.139 0.876 . . . . 0.0 113.045 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 t80 52.05 -161.9 0.09 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.057 1.343 . . . . 0.0 112.402 -170.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -141.38 140.04 33.62 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.717 1.207 . . . . 0.0 110.378 166.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -141.43 119.4 7.78 Favored Pre-proline 0 N--CA 1.471 0.591 0 C-N-CA 123.631 0.772 . . . . 0.0 109.822 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.73 159.52 38.62 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.111 2.541 . . . . 0.0 112.716 -176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -143.16 146.22 33.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.797 1.639 . . . . 0.0 111.223 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.293 1.837 . . . . 0.0 112.225 177.251 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 121.08 0.267 . . . . 0.0 112.748 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.76 -33.13 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.638 1.575 . . . . 0.0 112.182 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.07 -14.64 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -79.61 -12.16 59.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.945 0.898 . . . . 0.0 112.916 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -108.64 166.59 10.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.887 2.075 . . . . 0.0 110.36 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.7 m -91.84 -28.62 17.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 130.164 3.385 . . . . 0.0 111.172 -9.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 m 52.8 -70.92 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 130.232 3.413 . . . . 0.0 116.811 160.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -75.57 -26.94 58.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.929 1.292 . . . . 0.0 111.859 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -118.42 153.66 33.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.088 1.355 . . . . 0.0 113.908 -170.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mm -63.63 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.444 1.498 . . . . 0.0 109.427 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.71 117.23 19.13 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.525 0.679 . . . . 0.0 112.676 163.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.2 m -94.87 172.86 7.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 111.849 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.9 -38.74 62.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.532 1.133 . . . . 0.0 113.596 -170.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.41 -38.15 83.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.36 1.064 . . . . 0.0 113.298 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.59 -37.09 60.11 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.508 1.123 . . . . 0.0 110.918 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.59 -38.31 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.561 1.144 . . . . 0.0 112.359 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.68 -27.07 62.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.399 1.079 . . . . 0.0 112.891 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.77 -5.66 35.73 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -94.64 -9.63 34.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.832 1.253 . . . . 0.0 113.355 167.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -113.31 -32.57 6.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.253 1.421 . . . . 0.0 112.961 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.3 p30 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.345 1.458 . . . . 0.0 112.352 179.023 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 p90 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.79 158.96 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 130.603 3.561 . . . . 0.0 113.212 -0.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.5 34.63 17.92 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.914 1.686 . . . . 0.0 115.269 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -133.21 166.43 22.49 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.796 1.238 . . . . 0.0 111.832 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.09 146.47 53.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.868 1.267 . . . . 0.0 111.658 169.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -136.28 142.23 43.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.163 1.785 . . . . 0.0 108.451 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 t -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.926 0.784 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.3 -131.53 50.7 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.405 0.447 . . . . 0.0 113.524 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -58.85 -27.81 65.5 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.525 1.13 . . . . 0.0 113.714 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -70.79 -30.59 67.11 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.368 0.986 . . . . 0.0 112.65 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.77 -46.65 65.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.443 0.565 . . . . 0.0 109.804 169.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.21 -44.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 121.579 -0.701 . . . . 0.0 111.629 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.8 -38.15 89.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.596 0.758 . . . . 0.0 112.806 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.831 0.742 . . . . 0.0 112.561 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.625 -1.297 . . . . 0.0 112.332 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -72.91 -5.71 40.27 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 171.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.0 -45.68 5.86 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.053 1.341 . . . . 0.0 111.797 166.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.06 -34.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.833 1.653 . . . . 0.0 112.552 -172.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -110.36 4.72 20.96 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.649 1.58 . . . . 0.0 113.475 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.5 -130.97 34.81 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.492 1.044 . . . . 0.0 113.523 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -76.08 -9.51 58.68 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -65.91 138.38 57.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.911 1.284 . . . . 0.0 110.495 174.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.8 -167.2 14.77 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 115.56 0.984 . . . . 0.0 115.56 -167.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -74.42 -1.62 21.88 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -170.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -52.96 -38.87 62.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.144 0.978 . . . . 0.0 112.883 169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 37.1 p 41.37 64.81 5.02 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 126.773 2.029 . . . . 0.0 115.207 167.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -66.47 153.92 76.23 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.274 2.649 . . . . 0.0 113.015 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -75.74 159.82 30.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.915 2.486 . . . . 0.0 113.826 0.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.37 1.868 . . . . 0.0 112.481 -177.28 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.429 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.75 134.97 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.443 1.097 . . . . 0.0 110.147 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.73 1.99 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.362 1.465 . . . . 0.0 113.943 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -147.54 151.46 36.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.628 1.571 . . . . 0.0 110.818 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -124.85 158.23 33.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.133 1.373 . . . . 0.0 112.12 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.257 30.8 t -80.4 45.11 0.74 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.938 1.695 . . . . 0.0 112.463 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.08 157.3 26.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.044 1.738 . . . . 0.0 110.384 158.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m 65.31 -50.2 0.36 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.649 2.379 . . . . 0.0 115.789 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -107.03 153.97 21.82 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.877 1.671 . . . . 0.0 111.64 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -102.44 130.68 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.449 1.1 . . . . 0.0 109.793 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -101.09 156.07 17.63 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.7 1.6 . . . . 0.0 113.963 -168.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -84.25 153.06 23.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.154 1.382 . . . . 0.0 111.521 167.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.23 -23.89 66.92 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.428 -0.795 . . . . 0.0 112.019 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -57.47 -35.18 69.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 112.458 170.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.84 -37.69 73.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.407 -0.808 . . . . 0.0 110.739 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -65.51 -40.25 92.78 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.139 0.576 . . . . 0.0 111.296 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.91 -35.25 80.55 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.109 -0.995 . . . . 0.0 112.32 172.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -67.61 -30.56 70.18 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.514 -0.741 . . . . 0.0 112.47 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -71.27 -39.14 71.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.106 0.866 . . . . 0.0 111.673 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.67 -32.14 73.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.908 0.883 . . . . 0.0 112.221 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 . . . . . 0 C--O 1.238 0.481 0 C-N-CA 125.992 1.717 . . . . 0.0 110.476 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.41 137.52 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.378 1.071 . . . . 0.0 110.389 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.08 52.99 1.63 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.323 1.449 . . . . 0.0 112.085 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.81 44.85 1.92 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.556 1.942 . . . . 0.0 111.273 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 45.8 m80 65.74 162.15 0.15 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.207 2.203 . . . . 0.0 115.303 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -138.74 99.17 3.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.338 1.455 . . . . 0.0 109.075 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -145.79 152.82 40.15 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.446 -0.784 . . . . 0.0 111.324 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -139.78 47.7 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 -171.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -55.92 -32.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.241 1.016 . . . . 0.0 113.669 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -64.66 -32.88 74.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.597 0.759 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -71.43 -38.33 71.37 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.26 0.624 . . . . 0.0 111.569 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.78 -45.79 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.345 0.658 . . . . 0.0 110.479 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.59 -38.77 92.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.606 -0.684 . . . . 0.0 112.381 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.26 99.77 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.242 -0.911 . . . . 0.0 111.863 172.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.91 -30.18 67.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.271 -0.893 . . . . 0.0 113.282 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -62.26 -39.01 91.49 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.37 0.986 . . . . 0.0 111.393 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -73.59 -46.37 47.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.366 1.066 . . . . 0.0 112.707 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.43 -40.15 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.68 -10.51 58.13 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.947 0.899 . . . . 0.0 113.188 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 128.84 6.34 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 126.188 1.851 . . . . 0.0 114.306 168.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -23.26 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.198 1.399 . . . . 0.0 113.62 -175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.8 -28.69 69.2 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.833 1.253 . . . . 0.0 113.495 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.01 -18.68 3.11 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.76 1.172 . . . . 0.0 115.613 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -72.57 146.2 46.88 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.601 -0.687 . . . . 0.0 110.909 168.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -143.33 150.95 39.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.468 1.507 . . . . 0.0 111.434 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.0 p -135.54 126.91 17.38 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 124.995 1.318 . . . . 0.0 110.401 170.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.74 -18.12 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.76 2.307 . . . . 0.0 114.133 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -144.74 136.34 25.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.548 1.539 . . . . 0.0 111.053 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.829 1.652 . . . . 0.0 112.575 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.337 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -77.99 154.71 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.24 1.016 . . . . 0.0 113.071 178.445 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.5 -0.7 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -140.1 160.4 40.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.81 1.644 . . . . 0.0 111.999 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -137.06 157.61 46.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.589 1.556 . . . . 0.0 111.211 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' H ' ' CD2' ' B' ' 11' ' ' LEU . 0.1 OUTLIER -77.84 160.32 28.4 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.655 1.182 . . . . 0.0 112.887 -176.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.72 153.85 0.07 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.962 2.505 . . . . 0.0 115.815 -174.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 p -82.65 156.74 23.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.608 2.763 . . . . 0.0 111.729 -9.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -83.16 -163.42 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.849 3.26 . . . . 0.0 112.702 -1.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.12 129.76 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.369 1.467 . . . . 0.0 111.665 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.3 m -93.46 160.77 14.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.753 1.221 . . . . 0.0 112.728 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -131.95 172.65 12.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.467 1.907 . . . . 0.0 111.075 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -52.63 -37.87 59.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.18 1.392 . . . . 0.0 112.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -61.53 -39.59 91.61 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.756 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -69.43 -37.74 77.54 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.432 -0.792 . . . . 0.0 110.889 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.55 -43.38 94.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.044 0.538 . . . . 0.0 111.995 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.18 -24.96 68.12 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.216 -0.927 . . . . 0.0 113.26 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -68.2 -10.51 54.94 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 120.901 -1.124 . . . . 0.0 113.713 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.54 -2.23 57.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.442 1.097 . . . . 0.0 113.662 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.99 96.98 3.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 122.87 1.319 . . . . 0.0 112.57 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.261 1.424 . . . . 0.0 111.275 176.01 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.998 0.427 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.41 -16.34 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.913 1.285 . . . . 0.0 111.722 162.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -142.22 165.2 28.09 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.932 2.093 . . . . 0.0 110.393 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 64.04 156.1 0.07 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.07 2.148 . . . . 0.0 113.9 -166.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -63.16 136.21 57.61 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.239 1.016 . . . . 0.0 112.199 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tp -123.99 12.57 9.04 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.026 1.33 . . . . 0.0 113.256 -172.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.42 166.92 10.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.587 1.955 . . . . 0.0 112.826 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.88 83.36 0.82 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.594 1.092 . . . . 0.0 111.638 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.5 m 61.48 -25.49 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 128.347 2.659 . . . . 0.0 117.124 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -76.01 -20.07 58.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.668 1.122 . . . . 0.0 113.641 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.41 ' CD2' ' H ' ' A' ' 6' ' ' CYS . 59.8 tp -61.87 -42.08 98.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.435 -0.791 . . . . 0.0 112.58 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.24 -35.89 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.974 0.806 . . . . 0.0 111.752 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.51 -35.57 79.36 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.316 0.646 . . . . 0.0 112.035 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.12 79.58 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.486 0.714 . . . . 0.0 112.213 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.83 -30.87 71.56 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.252 -0.905 . . . . 0.0 112.284 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -65.22 -17.81 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.64 -40.83 10.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.529 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.98 -35.67 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.146 0.978 . . . . 0.0 112.978 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.14 -4.91 13.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.22 1.808 . . . . 0.0 114.172 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.77 170.42 42.67 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.353 0.978 . . . . 0.0 113.465 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -78.78 -12.75 60.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -147.25 153.99 40.46 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.789 1.636 . . . . 0.0 111.305 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.73 156.81 27.85 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.063 1.316 . . . . 0.0 113.605 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.43 3.61 12.92 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.234 1.414 . . . . 0.0 114.338 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 54.48 103.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.594 2.358 . . . . 0.0 113.141 -159.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 p -131.88 81.6 62.32 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 124.947 1.299 . . . . 0.0 111.472 -172.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -85.27 -8.01 8.84 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.006 3.138 . . . . 0.0 115.079 -173.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.84 131.28 50.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.291 1.436 . . . . 0.0 113.503 -168.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.065 1.746 . . . . 0.0 113.78 178.585 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.82 137.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.204 1.002 . . . . 0.0 109.571 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.27 148.31 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.496 1.518 . . . . 0.0 110.617 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.88 -6.9 35.85 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -171.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -78.13 44.48 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.3 2.24 . . . . 0.0 114.288 -168.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -7.6 45.51 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.74 1.216 . . . . 0.0 113.46 172.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -84.86 59.27 5.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.87 1.668 . . . . 0.0 109.829 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -27.64 65.62 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -167.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 p -64.18 149.42 47.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 131.417 3.887 . . . . 0.0 114.233 -1.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt 47.37 94.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 128.037 2.535 . . . . 0.0 114.633 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -68.48 171.39 7.51 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.76 0.79 . . . . 0.0 111.738 157.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -136.49 165.64 25.36 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.375 1.07 . . . . 0.0 112.061 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.37 -36.13 61.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 112.851 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -61.38 -30.62 70.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.698 1.199 . . . . 0.0 113.68 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -77.28 -33.02 55.87 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.16 -0.962 . . . . 0.0 111.287 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.26 -40.77 58.54 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.697 0.799 . . . . 0.0 112.972 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -14.93 62.86 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -173.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.82 -31.25 68.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 112.917 168.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -86.26 -5.34 59.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.1 -6.32 38.27 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -172.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.763 1.625 . . . . 0.0 113.678 172.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t 54.62 -54.85 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 130.284 3.434 . . . . 0.0 117.45 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.37 78.45 1.64 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.066 1.746 . . . . 0.0 111.212 -171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.77 -178.05 6.49 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.868 -1.145 . . . . 0.0 113.518 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -71.51 68.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.308 1.843 . . . . 0.0 112.935 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.46 46.94 0.78 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.77 1.628 . . . . 0.0 111.952 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -87.82 151.0 23.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.096 1.358 . . . . 0.0 112.522 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.19 -123.81 33.76 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.667 -0.646 . . . . 0.0 113.413 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.51 -27.29 66.02 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -73.03 -17.57 61.42 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.233 -0.917 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.02 -48.59 52.19 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 111.037 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.48 -38.84 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.02 0.528 . . . . 0.0 111.872 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -61.1 -37.43 82.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.065 0.546 . . . . 0.0 112.269 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.22 62.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.121 0.568 . . . . 0.0 111.905 172.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.15 -39.35 75.07 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.206 0.912 . . . . 0.0 112.646 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.235 1.014 . . . . 0.0 113.34 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -106.88 -40.83 5.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.122 1.769 . . . . 0.0 112.138 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.11 -36.6 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.625 1.57 . . . . 0.0 111.722 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -92.09 3.24 55.72 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.582 1.153 . . . . 0.0 113.951 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.7 -17.64 2.06 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.879 1.704 . . . . 0.0 116.195 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.74 165.32 32.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.874 1.67 . . . . 0.0 112.026 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -10.16 59.47 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.92 164.03 36.94 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.778 1.18 . . . . 0.0 114.069 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -84.44 -7.84 59.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -167.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 t80 55.22 98.72 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.263 2.225 . . . . 0.0 113.232 -165.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -124.62 74.32 62.83 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.304 1.442 . . . . 0.0 111.147 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.72 159.91 51.16 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.663 2.909 . . . . 0.0 112.86 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -143.8 160.68 40.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.753 1.621 . . . . 0.0 112.532 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.786 1.634 . . . . 0.0 113.203 178.001 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -138.85 149.37 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 128.932 2.893 . . . . 0.0 110.746 1.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.25 -17.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -149.29 150.65 32.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.344 1.457 . . . . 0.0 111.855 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -142.15 54.43 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.84 1.256 . . . . 0.0 111.742 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m 55.63 19.7 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.89 -24.29 59.69 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -123.29 -8.42 8.15 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -168.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 t -143.49 156.34 44.6 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.85 1.26 . . . . 0.0 112.258 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.27 93.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.824 1.25 . . . . 0.0 109.723 -175.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.18 113.17 9.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.904 0.482 . . . . 0.0 111.348 171.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.462 ' H ' ' NE2' ' A' ' 15' ' ' GLN . 43.8 p -69.38 164.55 22.69 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.275 1.03 . . . . 0.0 110.802 161.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.2 -31.16 70.93 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.752 -1.218 . . . . 0.0 112.243 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -57.17 -40.68 77.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.829 0.851 . . . . 0.0 112.374 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.462 ' NE2' ' H ' ' A' ' 12' ' ' SER . 67.5 mt-30 -71.04 -36.96 72.54 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.706 -0.621 . . . . 0.0 111.184 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.37 -36.25 81.69 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.794 0.437 . . . . 0.0 111.74 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.7 -32.59 74.0 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.857 -1.152 . . . . 0.0 113.31 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.58 -28.25 69.0 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.522 1.055 . . . . 0.0 113.073 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -70.25 -43.64 70.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.248 0.931 . . . . 0.0 111.378 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.88 -39.89 93.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.807 0.843 . . . . 0.0 112.82 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 126.163 1.785 . . . . 0.0 113.672 175.838 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.91 167.28 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 130.162 3.385 . . . . 0.0 111.805 -6.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 55.39 -146.64 0.56 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.587 1.555 . . . . 0.0 112.483 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -139.76 160.66 39.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.584 1.954 . . . . 0.0 110.513 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -103.03 121.91 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.027 2.931 . . . . 0.0 112.974 10.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.07 134.44 33.83 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.777 1.231 . . . . 0.0 108.264 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.3 t -147.05 -98.35 0.09 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.54 0.736 . . . . 0.0 112.09 -169.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.46 -11.23 80.0 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.58 1.086 . . . . 0.0 114.918 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.37 163.04 34.02 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.116 1.767 . . . . 0.0 110.59 171.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m80 60.37 -27.92 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.093 2.957 . . . . 0.0 117.181 -177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.6 -48.21 80.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.025 1.284 . . . . 0.0 112.168 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.92 -28.94 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.24 -43.59 50.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.311 0.645 . . . . 0.0 110.998 170.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.59 -37.76 79.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.344 1.057 . . . . 0.0 113.033 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.61 -45.28 94.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.353 0.979 . . . . 0.0 111.365 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.97 -33.89 61.94 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.83 -31.76 72.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.653 0.781 . . . . 0.0 112.537 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -79.38 -45.77 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.561 1.144 . . . . 0.0 111.637 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.1 -33.73 59.49 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.5 124.69 0.71 Allowed Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.491 1.52 . . . . 0.0 112.349 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 58.79 171.72 0.06 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.867 2.067 . . . . 0.0 114.993 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -83.07 -17.14 44.24 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.486 1.514 . . . . 0.0 113.984 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 123.31 31.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.13 0.871 . . . . 0.0 112.711 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.35 144.51 20.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.649 1.579 . . . . 0.0 112.997 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -108.63 125.82 52.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.92 1.688 . . . . 0.0 111.749 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -85.8 115.28 61.07 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.152 0.981 . . . . 0.0 111.389 171.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.54 158.96 43.51 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.757 2.305 . . . . 0.0 112.52 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -143.74 139.26 29.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.809 1.643 . . . . 0.0 111.197 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.485 1.294 0 C-N-CA 127.884 2.474 . . . . 0.0 113.337 178.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tp -70.86 144.98 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.226 1.01 . . . . 0.0 111.856 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 m -81.55 -14.4 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -139.28 158.93 43.3 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.195 1.798 . . . . 0.0 110.484 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.98 146.72 29.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.999 0.92 . . . . 0.0 113.029 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.04 11.19 23.81 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.129 1.371 . . . . 0.0 114.246 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.5 -22.66 34.22 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 p -85.7 -10.67 55.31 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.397 1.479 . . . . 0.0 114.566 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -142.86 156.68 44.97 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -168.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -84.02 65.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 167.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 m -54.16 145.63 16.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.776 1.23 . . . . 0.0 113.335 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.7 m -77.24 158.0 30.52 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.647 1.179 . . . . 0.0 111.83 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.0 -32.2 70.64 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -56.57 -31.05 63.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.383 1.073 . . . . 0.0 112.514 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -81.94 -31.34 31.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.76 -30.99 68.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.55 0.74 . . . . 0.0 112.644 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.72 -20.52 49.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -57.09 -29.39 63.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.89 1.276 . . . . 0.0 112.791 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -88.31 -1.9 58.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.492 1.517 . . . . 0.0 113.152 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.47 -32.02 5.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.555 1.542 . . . . 0.0 113.025 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.983 1.313 . . . . 0.0 112.145 179.73 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.45 118.08 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.271 1.828 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -151.37 154.96 37.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.045 3.338 . . . . 0.0 109.547 -12.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 61.14 174.3 0.11 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.585 1.554 . . . . 0.0 112.471 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -60.85 122.98 16.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.389 -1.444 . . . . 0.0 110.349 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.94 85.69 7.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 122.025 0.917 . . . . 0.0 111.811 -159.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.87 158.66 29.83 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.787 2.035 . . . . 0.0 110.896 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.01 -126.45 22.35 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.884 0.754 . . . . 0.0 114.384 168.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.4 p -62.25 -33.09 73.95 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -66.16 -40.92 90.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.567 1.076 . . . . 0.0 111.537 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.67 -39.61 88.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.37 0.668 . . . . 0.0 111.84 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.27 -47.0 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.897 0.879 . . . . 0.0 111.602 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.25 -46.65 85.57 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 111.635 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.19 93.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.06 -30.56 66.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.214 -0.929 . . . . 0.0 113.204 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.9 -34.46 77.83 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.015 1.28 . . . . 0.0 112.467 168.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.15 -39.77 68.5 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.121 0.873 . . . . 0.0 113.075 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.48 -39.44 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.004 0.922 . . . . 0.0 112.68 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.5 m -127.92 -3.41 5.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.62 -34.06 10.69 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 119.761 1.164 . . . . 0.0 113.454 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -134.62 88.6 2.46 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.738 1.615 . . . . 0.0 110.899 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -144.89 137.12 26.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.537 2.335 . . . . 0.0 111.087 -3.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.76 174.31 43.37 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 128.406 2.907 . . . . 0.0 113.624 -1.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -80.77 137.59 36.25 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.054 -1.029 . . . . 0.0 112.218 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -155.07 142.36 19.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.577 1.551 . . . . 0.0 110.954 170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -140.79 131.74 13.68 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 110.491 166.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.01 63.55 8.76 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.121 3.214 . . . . 0.0 112.511 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -91.55 158.37 16.48 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.921 1.689 . . . . 0.0 112.15 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.485 1.293 0 C-N-CA 127.494 2.318 . . . . 0.0 113.275 179.118 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.46 162.02 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.68 0.792 . . . . 0.0 112.655 173.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.94 -15.52 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.94 147.97 25.54 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.061 1.344 . . . . 0.0 112.188 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -125.04 -1.8 7.74 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.943 1.697 . . . . 0.0 112.498 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m 54.7 47.41 22.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.815 1.646 . . . . 0.0 111.409 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -102.79 -36.59 8.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.38 1.472 . . . . 0.0 114.036 -166.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -104.57 -40.86 5.88 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.678 1.191 . . . . 0.0 110.975 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -99.5 154.34 18.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.568 1.547 . . . . 0.0 112.27 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -99.31 125.7 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 108.993 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.5 m -97.31 121.42 39.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.929 . . . . 0.0 112.459 -170.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 m -67.05 156.28 36.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.25 1.02 . . . . 0.0 111.176 167.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.34 -26.13 67.61 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.99 -1.069 . . . . 0.0 112.897 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.71 -37.26 58.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.986 1.314 . . . . 0.0 113.185 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.73 -44.25 82.03 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.482 -0.762 . . . . 0.0 110.735 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.91 -37.92 87.33 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.796 0.438 . . . . 0.0 110.983 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.0 -36.62 84.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 170.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -67.98 -28.78 67.73 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.308 -0.87 . . . . 0.0 112.565 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -78.07 -34.72 50.13 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.897 0.771 . . . . 0.0 111.511 172.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.08 -39.62 93.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.929 1.291 . . . . 0.0 112.43 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 127.29 2.236 . . . . 0.0 113.68 176.495 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.39 -20.76 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.106 1.362 . . . . 0.0 113.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.34 -16.03 58.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -170.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.86 177.64 8.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.372 1.469 . . . . 0.0 112.546 -169.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -62.83 156.25 24.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.672 1.189 . . . . 0.0 112.306 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.24 26.39 8.49 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.548 1.139 . . . . 0.0 112.63 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -105.46 149.57 26.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.347 1.859 . . . . 0.0 113.07 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -0.36 60.02 Favored Glycine 0 CA--C 1.55 2.279 0 N-CA-C 119.297 2.479 . . . . 0.0 119.297 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -143.73 151.27 39.8 Favored 'General case' 0 N--CA 1.475 0.803 2 CA-C-N 126.442 5.121 . . . . 0.0 111.835 -5.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -124.96 -14.21 6.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.089 1.756 . . . . 0.0 113.047 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -54.08 -34.48 60.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.511 1.125 . . . . 0.0 114.029 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.37 -38.3 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.791 0.836 . . . . 0.0 112.941 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.2 -44.12 72.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.515 0.726 . . . . 0.0 110.615 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -38.47 76.76 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.093 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.97 -43.15 79.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.706 0.802 . . . . 0.0 112.522 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -63.01 -39.82 95.89 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.96 1.254 . . . . 0.0 111.902 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.5 -9.41 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.52 -40.67 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.018 1.727 . . . . 0.0 112.327 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 t -95.83 -30.26 13.77 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.447 1.499 . . . . 0.0 114.338 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.01 117.36 0.4 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.623 1.106 . . . . 0.0 112.63 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.96 -33.17 73.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.909 0.884 . . . . 0.0 112.702 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -89.82 33.27 0.86 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.975 1.71 . . . . 0.0 111.936 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.77 177.86 49.72 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.023 1.296 . . . . 0.0 113.091 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -70.79 131.05 43.24 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.306 -0.871 . . . . 0.0 111.12 167.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -153.99 143.16 21.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 166.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -140.5 130.03 13.29 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 125.223 1.409 . . . . 0.0 109.586 167.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.77 140.75 14.84 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.625 2.217 . . . . 0.0 112.197 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -77.13 151.41 35.37 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 128.468 2.707 . . . . 0.0 111.139 -10.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.252 1.227 0 C-N-CA 128.206 2.602 . . . . 0.0 114.597 -176.191 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -144.97 162.03 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.861 1.664 . . . . 0.0 110.15 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.54 -22.46 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -165.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 153.7 46.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.001 1.321 . . . . 0.0 111.662 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -97.19 137.42 36.26 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.55 0.74 . . . . 0.0 112.944 -173.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t -75.78 164.47 26.21 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.598 1.159 . . . . 0.0 111.143 161.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.292 1.7 p 56.03 148.24 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 130.522 3.529 . . . . 0.0 118.824 168.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 m -66.4 143.84 56.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 130.42 3.488 . . . . 0.0 111.642 -6.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.3 p -103.58 -149.69 0.41 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 131.11 3.764 . . . . 0.0 112.463 2.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.67 118.48 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.079 1.352 . . . . 0.0 109.306 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -78.83 -46.1 19.41 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -169.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t 59.64 167.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.63 -40.2 62.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.088 1.755 . . . . 0.0 112.717 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.21 -36.14 63.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.726 1.211 . . . . 0.0 113.107 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.88 -32.1 19.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.904 0.481 . . . . 0.0 111.935 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.53 -28.15 69.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.68 -24.95 59.37 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -69.57 -22.85 63.5 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.892 -1.13 . . . . 0.0 113.571 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -75.53 -19.33 59.41 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.472 1.109 . . . . 0.0 112.712 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 m -84.2 -3.07 57.92 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.643 1.577 . . . . 0.0 112.962 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -61.74 151.07 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.103 1.361 . . . . 0.0 111.769 164.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.09 59.08 4.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.222 1.009 . . . . 0.0 112.492 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -134.64 171.3 14.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.539 1.536 . . . . 0.0 110.992 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -65.05 -17.35 64.37 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -161.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.24 43.51 26.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.782 1.633 . . . . 0.0 111.248 -165.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.7 164.83 16.73 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.716 1.606 . . . . 0.0 112.298 -169.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.72 -132.0 51.07 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.578 -0.701 . . . . 0.0 112.143 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -59.26 -26.58 65.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.74 -15.67 53.57 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.06 -52.38 65.63 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.849 0.859 . . . . 0.0 111.507 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.91 -33.83 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.3 -41.56 89.55 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.334 0.654 . . . . 0.0 111.928 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.86 79.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.17 0.588 . . . . 0.0 112.325 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.83 -30.44 69.84 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.746 -1.221 . . . . 0.0 113.556 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.04 -11.87 44.09 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 168.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.49 -42.35 6.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.633 1.173 . . . . 0.0 112.397 170.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.43 -44.63 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.86 0.864 . . . . 0.0 112.281 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.4 m -96.73 -33.36 11.74 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.799 0.84 . . . . 0.0 112.814 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.5 11.97 23.0 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -130.43 76.24 1.71 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.171 1.485 . . . . 0.0 112.115 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -94.16 -53.85 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.13 2.572 . . . . 0.0 111.699 -6.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.9 -112.04 0.21 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 126.647 2.07 . . . . 0.0 115.722 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -139.32 152.1 46.93 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 128.687 2.795 . . . . 0.0 110.263 -6.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -142.05 139.71 32.39 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.155 1.382 . . . . 0.0 111.475 -175.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -104.92 112.41 65.26 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 125.002 1.321 . . . . 0.0 110.961 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -66.1 138.24 51.25 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.207 1.938 . . . . 0.0 112.033 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -118.38 157.54 26.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.177 1.791 . . . . 0.0 111.17 172.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.786 1.634 . . . . 0.0 113.261 176.748 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.5 tp -62.93 145.73 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.104 0.962 . . . . 0.0 112.561 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.9 -36.21 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.397 1.079 . . . . 0.0 113.443 -162.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -134.11 164.58 27.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.901 1.68 . . . . 0.0 110.903 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -144.04 149.14 36.2 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.4 m -76.27 66.82 2.43 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.481 1.912 . . . . 0.0 111.507 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -98.12 -40.07 8.59 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.357 1.063 . . . . 0.0 113.459 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -101.58 -28.27 12.62 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.164 1.386 . . . . 0.0 112.145 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 p -95.45 151.66 19.09 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.328 1.851 . . . . 0.0 112.765 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.25 133.64 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.359 1.464 . . . . 0.0 108.87 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.93 109.88 14.12 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.759 0.824 . . . . 0.0 112.605 -167.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 m -65.27 163.35 15.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.101 0.96 . . . . 0.0 110.887 163.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.54 -33.54 70.01 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 112.831 -177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.91 -36.22 69.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.192 0.997 . . . . 0.0 113.181 171.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -78.22 -39.87 39.14 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.841 0.856 . . . . 0.0 111.125 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.02 -32.55 73.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.865 0.866 . . . . 0.0 112.629 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.87 -17.28 49.44 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.35 -32.38 73.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.819 -1.176 . . . . 0.0 112.257 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -77.22 -3.79 41.44 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.437 1.095 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -78.63 -14.67 59.2 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.223 -0.923 . . . . 0.0 112.246 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 126.777 2.031 . . . . 0.0 113.628 -178.264 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.71 -26.71 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.375 1.47 . . . . 0.0 114.298 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -114.95 15.24 17.3 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.167 1.387 . . . . 0.0 113.56 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -142.99 169.26 17.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.016 1.327 . . . . 0.0 112.694 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -66.69 150.26 49.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.223 1.009 . . . . 0.0 111.246 170.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.06 8.1 11.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -48.39 134.93 14.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.988 1.315 . . . . 0.0 114.549 -168.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.46 -137.3 21.59 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.832 0.73 . . . . 0.0 113.13 -173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -60.52 -33.06 72.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -62.01 -30.13 70.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.99 -48.58 57.64 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.814 0.846 . . . . 0.0 111.78 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 119.176 0.898 . . . . 0.0 111.282 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.6 -38.24 86.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.597 0.635 . . . . 0.0 112.675 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.91 75.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.526 0.603 . . . . 0.0 111.783 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.78 -28.36 65.68 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.919 -1.113 . . . . 0.0 113.559 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -64.31 -11.14 29.12 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 167.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -106.73 -42.08 5.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.432 1.493 . . . . 0.0 112.291 172.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.89 -39.4 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.974 1.31 . . . . 0.0 112.199 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -98.43 -12.18 21.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.637 1.175 . . . . 0.0 113.344 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.35 -151.49 41.88 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.305 0.955 . . . . 0.0 113.38 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.82 164.16 12.87 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.882 0.873 . . . . 0.0 113.228 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -61.22 130.32 45.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.818 0.847 . . . . 0.0 111.006 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.89 -57.61 0.36 Allowed Glycine 0 CA--C 1.538 1.514 0 N-CA-C 115.164 0.825 . . . . 0.0 115.164 -171.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.26 136.27 55.62 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 144.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -73.61 -44.79 56.21 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -168.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p 42.35 67.32 3.48 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 127.059 2.144 . . . . 0.0 115.606 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.72 157.11 52.62 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.41 2.74 . . . . 0.0 112.836 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -134.15 157.3 46.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.336 1.855 . . . . 0.0 111.56 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.139 1.376 . . . . 0.0 112.56 176.632 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 mt -82.35 148.7 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.513 1.125 . . . . 0.0 109.937 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 t 67.29 -25.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 127.469 2.308 . . . . 0.0 114.499 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.62 137.78 57.93 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.531 -1.356 . . . . 0.0 110.748 166.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 59.53 -52.95 0.07 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.069 2.147 . . . . 0.0 114.269 -162.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -78.88 59.49 2.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.188 1.395 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -167.5 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.761 2.424 . . . . 0.0 110.349 162.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -72.43 -28.69 63.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.451 1.1 . . . . 0.0 112.661 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -128.08 163.23 25.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.83 2.052 . . . . 0.0 111.75 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.15 135.62 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.737 1.215 . . . . 0.0 108.918 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 m -110.02 149.24 30.27 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.8 p -82.75 22.44 0.9 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -167.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 62.92 -42.37 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 115.155 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -52.6 -34.85 52.69 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.479 1.512 . . . . 0.0 112.665 168.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -69.9 -27.84 65.12 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.429 -0.794 . . . . 0.0 112.711 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.84 -44.3 64.08 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 169.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.2 -35.9 67.81 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.411 -0.806 . . . . 0.0 112.743 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.19 -21.1 61.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.61 -16.24 62.28 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.7 m -120.81 -19.76 7.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.603 1.561 . . . . 0.0 114.692 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.156 1.382 . . . . 0.0 112.087 -163.447 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 120.637 0.256 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.71 -21.95 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.472 1.509 . . . . 0.0 113.778 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -133.83 13.43 4.01 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.643 1.577 . . . . 0.0 112.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -151.11 157.88 43.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.429 1.891 . . . . 0.0 110.401 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -63.18 153.95 32.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.884 1.274 . . . . 0.0 113.556 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -124.51 144.34 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.946 1.698 . . . . 0.0 108.604 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.79 142.65 30.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.461 1.028 . . . . 0.0 111.023 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.91 -120.67 9.44 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.541 1.067 . . . . 0.0 113.809 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -51.82 -40.82 61.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.229 1.412 . . . . 0.0 113.333 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -67.73 -32.9 73.84 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.454 -0.779 . . . . 0.0 112.661 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -72.56 -41.52 65.66 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.839 -0.538 . . . . 0.0 111.9 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.04 -33.97 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.047 -1.033 . . . . 0.0 111.97 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.87 -30.7 71.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.44 -0.788 . . . . 0.0 112.506 168.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.08 75.88 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.392 -0.818 . . . . 0.0 112.209 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.27 -31.4 72.53 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.905 -1.122 . . . . 0.0 112.893 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.35 -14.95 21.32 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.23 -45.33 4.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.311 1.444 . . . . 0.0 112.622 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.08 -44.57 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 112.127 -173.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.46 -23.49 13.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.044 1.338 . . . . 0.0 112.847 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.28 -19.81 19.01 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.925 1.726 . . . . 0.0 117.063 -171.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.05 -16.5 44.4 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.745 1.273 . . . . 0.0 113.721 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -78.88 9.76 3.97 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.417 1.487 . . . . 0.0 113.964 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.27 29.85 32.4 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.601 1.096 . . . . 0.0 113.181 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.87 151.86 28.92 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.734 -0.604 . . . . 0.0 110.034 160.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.84 132.29 49.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 111.517 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -50.69 139.39 21.36 Favored Pre-proline 0 N--CA 1.482 1.128 1 C-N-CA 131.847 4.059 . . . . 0.0 114.684 1.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.88 156.48 43.54 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.214 2.609 . . . . 0.0 114.028 -162.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -68.58 155.9 39.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.422 1.089 . . . . 0.0 112.74 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.805 1.642 . . . . 0.0 113.262 177.74 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.5 tt -119.9 -27.96 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 128.592 2.757 . . . . 0.0 113.359 4.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -6.76 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.568 -1.333 . . . . 0.0 112.15 176.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.08 -13.96 61.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.693 1.597 . . . . 0.0 113.805 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.35 -177.75 6.3 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.676 1.19 . . . . 0.0 113.034 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.9 m 64.5 23.94 13.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.86 1.664 . . . . 0.0 114.832 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 m -103.45 144.71 31.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.882 2.073 . . . . 0.0 109.546 167.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m 64.22 -35.65 0.17 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 127.196 2.198 . . . . 0.0 115.468 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -119.62 152.73 36.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.576 1.95 . . . . 0.0 111.12 170.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.22 128.36 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.585 1.154 . . . . 0.0 109.742 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.1 m -77.67 150.36 34.54 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.266 1.026 . . . . 0.0 113.054 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -89.1 168.93 11.93 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.828 1.251 . . . . 0.0 112.661 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.0 tp -55.08 -41.35 71.43 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.997 0.919 . . . . 0.0 112.055 170.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.13 -36.6 82.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.299 1.04 . . . . 0.0 112.485 176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.36 -41.61 84.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.121 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.19 -32.47 73.93 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.21 -19.38 65.3 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.77 -16.72 60.08 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.896 -1.128 . . . . 0.0 113.453 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -79.79 -15.31 57.7 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.517 1.127 . . . . 0.0 113.507 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.83 8.03 7.59 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -155.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.465 1.506 . . . . 0.0 112.472 168.711 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.74 136.94 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.341 -0.849 . . . . 0.0 113.192 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -69.31 163.95 23.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.798 2.039 . . . . 0.0 112.181 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.74 -179.63 1.86 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.645 3.578 . . . . 0.0 113.462 -0.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -45.84 131.5 9.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.551 1.54 . . . . 0.0 112.078 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.46 -14.01 57.54 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -165.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -22.74 -45.73 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.904 3.681 . . . . 0.0 118.557 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.43 -140.72 3.07 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.991 1.281 . . . . 0.0 114.115 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -66.29 -19.89 65.95 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.362 -1.081 . . . . 0.0 113.648 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -55.13 -36.38 65.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.533 1.533 . . . . 0.0 111.882 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.16 -56.3 17.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.123 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.81 -31.9 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.034 0.833 . . . . 0.0 112.308 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.65 -42.8 98.06 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.21 0.604 . . . . 0.0 111.916 168.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.76 76.0 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.733 0.813 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -57.94 -43.06 86.09 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.703 1.138 . . . . 0.0 111.513 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.59 -19.23 65.83 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.98 -14.24 45.19 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 112.993 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -107.75 -34.06 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.732 1.613 . . . . 0.0 112.364 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -140.74 147.28 38.92 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.701 1.6 . . . . 0.0 112.427 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.16 171.44 42.31 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.282 2.372 . . . . 0.0 111.459 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -137.54 27.9 2.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 129.063 2.945 . . . . 0.0 112.194 1.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -80.28 63.63 4.82 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.129 1.772 . . . . 0.0 112.98 -170.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.73 -15.71 50.38 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.839 1.685 . . . . 0.0 115.671 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 142.45 34.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.367 1.467 . . . . 0.0 112.434 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -146.17 119.76 9.14 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.486 1.114 . . . . 0.0 110.369 164.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -122.74 85.4 49.49 Favored Pre-proline 0 N--CA 1.472 0.671 0 C-N-CA 124.889 1.275 . . . . 0.0 110.745 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.88 116.63 4.76 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.382 2.721 . . . . 0.0 112.544 -172.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -133.91 137.06 44.68 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.436 3.094 . . . . 0.0 109.598 -12.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.182 1.393 . . . . 0.0 110.998 174.76 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -142.17 155.11 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.289 1.436 . . . . 0.0 111.065 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.98 -22.92 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -165.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.75 156.97 46.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.413 1.485 . . . . 0.0 111.256 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -125.66 148.64 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.942 1.297 . . . . 0.0 112.606 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.65 42.2 1.0 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.351 1.46 . . . . 0.0 113.469 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.34 147.12 23.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.087 1.755 . . . . 0.0 111.836 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p 60.45 -47.08 0.1 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 129.097 2.959 . . . . 0.0 116.202 -178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 p -96.74 151.89 19.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.534 1.534 . . . . 0.0 111.858 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.6 mt -96.64 133.59 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 -171.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.42 118.6 31.52 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.166 0.987 . . . . 0.0 111.689 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -79.24 165.5 23.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.258 1.023 . . . . 0.0 110.761 163.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.35 -31.31 67.47 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.222 -0.924 . . . . 0.0 112.812 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -55.33 -35.28 64.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.666 1.186 . . . . 0.0 113.46 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -74.45 -33.41 62.91 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.202 -0.936 . . . . 0.0 111.41 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.03 -38.1 75.77 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.292 0.637 . . . . 0.0 111.042 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.07 -30.59 71.65 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.092 -1.005 . . . . 0.0 112.633 169.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -66.96 -29.56 69.45 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.114 -0.992 . . . . 0.0 112.622 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -77.58 -29.46 52.09 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.171 0.896 . . . . 0.0 112.424 168.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.95 -34.68 73.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.414 1.085 . . . . 0.0 113.077 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.028 1.331 . . . . 0.0 112.128 178.732 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.06 -47.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 128.632 2.773 . . . . 0.0 116.124 168.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.64 -0.79 10.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.729 2.012 . . . . 0.0 113.331 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -138.25 139.77 39.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.608 1.563 . . . . 0.0 111.224 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -64.36 154.34 35.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.043 1.337 . . . . 0.0 112.802 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -129.29 24.8 5.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.273 1.429 . . . . 0.0 112.848 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.85 149.75 47.55 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.702 -1.249 . . . . 0.0 114.209 -172.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.61 -138.64 21.93 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.824 1.202 . . . . 0.0 112.375 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -60.06 -25.8 65.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -59.14 -21.65 59.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.004 0.922 . . . . 0.0 113.143 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.25 -44.9 43.45 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.345 0.975 . . . . 0.0 112.203 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.51 -37.42 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 118.898 0.772 . . . . 0.0 111.155 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.22 -29.58 70.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 -42.16 37.06 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 112.273 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.72 -24.75 67.05 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.338 -0.851 . . . . 0.0 112.806 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.26 -33.57 53.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.594 1.088 . . . . 0.0 112.727 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.67 -21.23 24.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.211 1.404 . . . . 0.0 113.096 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.34 -31.03 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.205 1.402 . . . . 0.0 112.861 -168.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -141.74 -32.26 0.53 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -173.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.43 -132.19 52.43 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.246 0.927 . . . . 0.0 112.416 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.69 20.73 14.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.535 1.534 . . . . 0.0 112.945 172.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -133.25 -16.51 2.43 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.84 -18.45 75.13 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.805 1.184 . . . . 0.0 115.319 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -92.34 151.43 20.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.895 1.278 . . . . 0.0 109.603 155.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -112.85 141.72 46.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.762 0.825 . . . . 0.0 111.306 168.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -137.46 137.24 21.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 124.107 0.963 . . . . 0.0 110.393 166.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.98 -5.25 14.46 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.195 2.597 . . . . 0.0 112.614 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? 64.99 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 129.34 3.056 . . . . 0.0 114.667 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.246 0 C-N-CA 126.761 2.024 . . . . 0.0 113.986 -176.575 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -138.4 144.43 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.685 1.194 . . . . 0.0 111.155 175.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -95.49 0.27 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.305 1.442 . . . . 0.0 114.299 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -132.28 156.78 45.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.608 1.963 . . . . 0.0 110.738 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -134.48 166.22 23.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.867 1.267 . . . . 0.0 111.57 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -51.25 -52.64 42.87 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -166.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.11 -36.74 3.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.642 3.577 . . . . 0.0 112.128 -7.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -81.69 -12.89 58.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.193 1.397 . . . . 0.0 114.064 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -107.42 -178.46 3.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.93 1.692 . . . . 0.0 111.425 169.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -91.19 -17.26 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.998 0.919 . . . . 0.0 112.024 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.5 m 61.25 146.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.398 2.679 . . . . 0.0 116.477 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -81.5 155.71 25.65 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.738 1.215 . . . . 0.0 110.629 164.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.68 -31.74 69.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.662 0.785 . . . . 0.0 112.923 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -55.14 -37.17 66.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.32 1.048 . . . . 0.0 113.128 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.61 -33.76 76.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.535 -0.728 . . . . 0.0 111.395 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.61 -37.36 62.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.426 1.09 . . . . 0.0 110.8 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.35 -28.03 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.98 -1.075 . . . . 0.0 113.053 172.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -63.9 -29.15 70.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.771 1.169 . . . . 0.0 112.589 170.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.79 -31.06 35.88 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.967 0.907 . . . . 0.0 112.333 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.03 -35.79 77.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.557 1.143 . . . . 0.0 112.606 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 124.71 1.204 . . . . 0.0 112.407 179.516 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 1.4 p 55.34 -19.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 130.514 3.525 . . . . 0.0 118.758 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.98 -10.19 4.33 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.816 1.646 . . . . 0.0 114.347 -174.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -140.66 136.97 33.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.56 1.544 . . . . 0.0 109.522 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -64.02 142.24 58.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.226 1.41 . . . . 0.0 111.724 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.85 -18.53 34.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -73.13 -20.24 60.97 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -163.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -65.21 3.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.258 0.932 . . . . 0.0 113.613 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -151.02 13.71 0.7 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.787 1.235 . . . . 0.0 113.036 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -113.65 -22.6 10.17 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -156.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.2 -36.63 68.62 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.412 1.485 . . . . 0.0 112.946 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 m -68.01 -38.03 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.255 0.622 . . . . 0.0 112.4 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.6 -39.6 64.47 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 111.103 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.62 94.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.128 0.571 . . . . 0.0 111.591 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.61 -33.83 73.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.291 -0.861 . . . . 0.0 113.197 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -61.36 -39.11 89.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.133 1.333 . . . . 0.0 112.448 168.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.92 -30.91 58.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -88.23 -38.84 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.918 1.287 . . . . 0.0 112.383 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.6 t -85.79 -27.26 25.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.973 . . . . 0.0 113.247 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 148.08 42.35 Favored Glycine 0 CA--C 1.542 1.721 0 O-C-N 121.201 -0.937 . . . . 0.0 112.352 169.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.57 0.38 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.28 2.632 . . . . 0.0 113.603 1.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -67.5 -31.7 72.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.662 1.185 . . . . 0.0 113.374 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.76 162.46 33.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.292 1.425 . . . . 0.0 114.286 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -136.07 147.09 47.7 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.144 1.378 . . . . 0.0 111.389 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -154.4 141.37 19.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.993 1.317 . . . . 0.0 111.81 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.9 p -133.02 138.06 30.96 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 123.737 0.815 . . . . 0.0 110.895 156.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.2 156.57 51.14 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.875 2.384 . . . . 0.0 112.724 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 10.0 34.15 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 128.954 2.902 . . . . 0.0 115.243 3.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.485 1.303 0 C-N-CA 127.709 2.404 . . . . 0.0 113.236 -167.668 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 mt -102.85 156.01 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 128.756 2.823 . . . . 0.0 109.908 1.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.339 17.1 m 55.58 16.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 127.835 2.454 . . . . 0.0 115.876 -172.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.08 128.63 36.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.328 163.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -70.43 141.4 52.11 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.551 0.74 . . . . 0.0 112.961 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -80.83 54.78 2.23 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.088 1.355 . . . . 0.0 111.042 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.38 -33.49 19.12 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.779 1.232 . . . . 0.0 113.61 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -86.99 -41.04 14.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.942 0.897 . . . . 0.0 111.707 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -123.24 150.87 42.91 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.947 1.299 . . . . 0.0 112.199 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.29 137.37 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.633 1.173 . . . . 0.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.74 93.44 4.32 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 122.173 0.987 . . . . 0.0 109.794 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -78.95 37.22 0.3 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.9 2.48 . . . . 0.0 114.569 -171.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt 64.13 -50.56 0.28 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.218 2.607 . . . . 0.0 113.534 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -50.72 -36.23 35.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.448 1.899 . . . . 0.0 113.438 172.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -65.57 -26.76 68.01 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.97 0.908 . . . . 0.0 113.012 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.1 mt -77.82 -27.15 49.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.492 1.117 . . . . 0.0 113.126 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.3 -23.13 55.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.54 1.136 . . . . 0.0 113.472 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -57.84 -25.84 61.23 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.668 1.187 . . . . 0.0 112.994 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' CE1' ' HA3' ' A' ' 1' ' ' GLY . 25.2 m-85 -99.5 12.72 35.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 114.299 -175.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.76 1.73 29.13 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.465 1.106 . . . . 0.0 113.981 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 111.061 179.248 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t 48.44 32.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 126.944 2.098 . . . . 0.0 113.888 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 49.21 47.65 21.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.102 1.761 . . . . 0.0 113.459 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.85 161.23 14.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.996 1.319 . . . . 0.0 113.908 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -77.54 95.87 4.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.584 1.154 . . . . 0.0 109.504 159.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.17 85.37 2.39 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.894 0.854 . . . . 0.0 110.363 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.72 131.54 41.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.518 1.527 . . . . 0.0 111.227 -164.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.25 -27.94 0.56 Allowed Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.708 1.623 . . . . 0.0 115.445 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -152.68 -179.49 7.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.069 2.148 . . . . 0.0 110.787 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t60 64.56 -32.63 0.14 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 128.534 2.734 . . . . 0.0 116.745 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -43.98 81.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.472 1.487 . . . . 0.0 113.738 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -36.0 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.754 -0.591 . . . . 0.0 112.113 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.694 0.798 . . . . 0.0 111.214 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.39 98.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.099 0.56 . . . . 0.0 111.742 172.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.59 -33.58 74.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.026 -1.046 . . . . 0.0 113.516 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.46 -33.26 75.18 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.796 1.18 . . . . 0.0 112.649 169.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -81.87 -35.02 29.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.428 1.091 . . . . 0.0 113.283 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.89 -36.57 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.075 1.35 . . . . 0.0 112.09 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -124.34 50.65 1.66 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.768 1.627 . . . . 0.0 112.836 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.28 -158.12 27.52 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 118.071 -2.893 . . . . 0.0 112.28 9.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.12 -17.49 53.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.868 1.267 . . . . 0.0 113.768 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -136.17 28.81 3.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.331 1.452 . . . . 0.0 113.39 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.64 -161.62 52.6 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.689 1.138 . . . . 0.0 114.33 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.89 157.29 38.4 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 113.664 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -56.85 -38.43 72.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.793 2.037 . . . . 0.0 113.847 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.3 m 58.0 78.51 0.36 Allowed Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 125.75 1.62 . . . . 0.0 112.064 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.06 150.69 85.12 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.455 2.77 . . . . 0.0 112.538 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -128.99 22.51 5.74 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.469 1.507 . . . . 0.0 113.439 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.485 1.312 0 C-N-CA 127.768 2.427 . . . . 0.0 112.916 -175.391 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.97 -25.39 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.29 117.07 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.021 0.928 . . . . 0.0 111.527 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -154.76 152.79 30.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.353 1.861 . . . . 0.0 110.507 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 -17.24 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 127.521 2.329 . . . . 0.0 116.595 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.35 140.67 23.2 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.865 1.666 . . . . 0.0 110.277 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.9 p -80.91 8.96 7.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.14 2.576 . . . . 0.0 114.635 -0.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -57.84 -29.38 64.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.67 1.588 . . . . 0.0 113.899 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -128.63 166.69 18.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.965 1.706 . . . . 0.0 110.675 166.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -80.51 78.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 108.532 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -68.75 153.55 43.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -168.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.5 p -92.77 166.89 12.22 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.342 1.457 . . . . 0.0 112.453 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.4 mt -58.56 -33.25 69.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.72 0.808 . . . . 0.0 112.378 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -62.46 -37.37 85.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.823 1.249 . . . . 0.0 112.572 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.81 -38.61 70.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.592 -0.692 . . . . 0.0 111.448 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.08 -26.89 67.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.23 -23.3 63.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.6 1.091 . . . . 0.0 113.895 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -64.93 -22.18 66.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.297 -0.877 . . . . 0.0 113.192 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -81.73 -18.46 44.23 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.303 1.041 . . . . 0.0 113.064 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.8 m -81.11 -19.36 43.77 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -167.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 124.111 0.964 . . . . 0.0 111.824 -179.536 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.58 151.0 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.432 1.493 . . . . 0.0 110.794 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.25 42.33 0.81 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.848 1.259 . . . . 0.0 113.319 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.82 164.86 32.33 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.22 1.408 . . . . 0.0 112.225 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -55.26 129.45 38.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.344 1.058 . . . . 0.0 110.507 169.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.76 13.89 1.95 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -152.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.06 166.7 22.95 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.934 -1.104 . . . . 0.0 112.006 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 40.16 8.07 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.665 -0.647 . . . . 0.0 112.532 -165.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m 64.32 -1.98 0.67 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.701 2.4 . . . . 0.0 117.087 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.47 -35.99 79.18 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.181 1.355 . . . . 0.0 112.393 175.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.43 -37.18 86.61 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.432 1.093 . . . . 0.0 112.052 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -69.46 -47.96 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.455 0.702 . . . . 0.0 110.258 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.94 -37.22 83.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.543 0.737 . . . . 0.0 112.282 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -51.81 59.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.991 0.916 . . . . 0.0 111.658 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.14 -35.06 79.03 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.227 -0.921 . . . . 0.0 112.813 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.58 -20.51 64.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.29 -35.14 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.084 1.353 . . . . 0.0 113.068 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.7 -40.65 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.077 1.351 . . . . 0.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -88.51 -44.75 10.46 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.161 0.584 . . . . 0.0 112.2 175.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.56 -114.87 4.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.565 0.603 . . . . 0.0 112.625 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -100.37 -10.94 20.69 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.341 1.457 . . . . 0.0 113.956 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 150.76 21.96 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.744 -1.223 . . . . 0.0 114.144 -173.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.38 -9.88 7.04 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.668 1.604 . . . . 0.0 116.915 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 50.94 -142.32 0.71 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.057 1.743 . . . . 0.0 113.518 171.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -144.01 149.71 37.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.27 1.828 . . . . 0.0 111.659 -174.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -137.8 125.51 13.99 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 0.0 110.506 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.77 156.97 52.65 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.09 2.527 . . . . 0.0 112.46 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -133.65 155.24 50.05 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.923 1.689 . . . . 0.0 111.729 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.254 1.324 0 C-N-CA 125.817 1.647 . . . . 0.0 113.707 177.066 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 pp -77.55 170.26 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.3 1.04 . . . . 0.0 113.119 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.08 151.65 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.763 1.625 . . . . 0.0 111.304 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.41 44.91 0.73 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.027 1.331 . . . . 0.0 112.246 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -129.6 -81.18 0.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -164.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m 49.4 54.78 10.39 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.171 0.896 . . . . 0.0 113.008 -157.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -121.2 -11.78 8.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.908 1.283 . . . . 0.0 114.43 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -70.18 -33.65 72.0 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.265 -0.897 . . . . 0.0 111.033 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -153.31 164.4 38.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.863 2.065 . . . . 0.0 110.919 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -81.19 103.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -81.37 149.42 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -172.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -76.46 154.08 35.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.751 1.22 . . . . 0.0 111.987 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.69 -27.03 68.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.431 -0.793 . . . . 0.0 112.175 173.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.85 -36.13 82.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.438 -0.789 . . . . 0.0 112.39 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.27 -35.88 74.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.386 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.3 mt -64.83 -39.45 93.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.09 -20.51 62.69 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.755 -1.216 . . . . 0.0 113.557 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.23 -6.24 58.64 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.3 -39.97 64.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.857 1.208 . . . . 0.0 111.281 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -87.66 78.99 8.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 123.67 1.7 . . . . 0.0 111.958 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.92 -178.596 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -143.79 139.29 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.285 1.434 . . . . 0.0 110.873 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 53.97 26.83 6.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.795 1.638 . . . . 0.0 114.638 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -145.24 156.94 44.14 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.106 1.362 . . . . 0.0 112.662 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -69.15 152.92 44.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.431 1.092 . . . . 0.0 110.823 164.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -120.14 -5.56 9.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 -162.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 p -61.63 140.11 58.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.377 1.444 . . . . 0.0 113.022 -169.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.37 -145.06 18.81 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.746 0.688 . . . . 0.0 111.843 -160.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -63.42 -31.36 72.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -64.14 -35.7 81.64 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.153 0.888 . . . . 0.0 113.106 -174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.84 -39.88 79.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.422 1.089 . . . . 0.0 110.89 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -67.95 -45.11 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.65 0.78 . . . . 0.0 110.701 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.74 -40.72 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.609 -0.682 . . . . 0.0 112.079 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.43 80.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.961 0.504 . . . . 0.0 111.52 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.07 -30.65 69.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.075 -1.016 . . . . 0.0 113.287 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -66.21 -11.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.87 -32.53 6.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.926 1.29 . . . . 0.0 113.169 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -82.89 -40.6 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.103 1.361 . . . . 0.0 111.966 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.8 m -110.31 -6.42 15.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 113.797 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.38 154.21 26.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.072 1.32 . . . . 0.0 114.372 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.84 -5.15 49.91 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -78.03 57.12 1.72 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.043 1.737 . . . . 0.0 111.433 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.46 -65.46 1.69 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.754 1.645 . . . . 0.0 111.972 -168.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.509 ' H ' ' HA ' ' B' ' 26' ' ' TYR . 9.6 t80 -145.56 -45.15 0.21 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.237 1.415 . . . . 0.0 114.482 -167.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.509 ' HA ' ' H ' ' B' ' 25' ' ' PHE . 83.2 t80 -83.86 150.13 25.92 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 130.251 3.421 . . . . 0.0 112.764 -12.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.5 t -146.23 131.49 9.14 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.967 1.307 . . . . 0.0 109.722 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.78 154.66 34.42 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.187 2.591 . . . . 0.0 112.994 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -70.95 148.28 47.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.542 1.137 . . . . 0.0 111.705 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.325 1.45 . . . . 0.0 112.848 168.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.108 -0.829 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.268 24.8 pt 42.98 -149.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 127.11 2.164 . . . . 0.0 113.69 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.7 -26.83 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -144.97 146.64 32.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.574 1.95 . . . . 0.0 110.404 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.83 159.09 42.96 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -171.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.69 65.86 0.71 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.342 1.857 . . . . 0.0 113.013 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -136.22 -36.14 0.74 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.373 1.869 . . . . 0.0 111.903 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -69.26 -28.9 66.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.723 1.209 . . . . 0.0 111.951 174.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.82 170.03 19.72 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.162 1.785 . . . . 0.0 111.076 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -89.69 130.2 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.526 1.53 . . . . 0.0 109.34 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.6 m -97.29 137.21 36.65 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -75.0 158.51 33.12 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.504 1.121 . . . . 0.0 111.278 165.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.02 -34.69 75.23 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.211 -0.931 . . . . 0.0 112.112 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.27 -37.82 78.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.787 0.835 . . . . 0.0 112.407 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.02 -40.3 71.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.211 0.605 . . . . 0.0 110.529 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.02 -34.2 77.85 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.04 -33.09 74.78 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.03 -1.044 . . . . 0.0 113.045 171.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.36 -25.58 67.64 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.19 -31.75 72.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.331 1.052 . . . . 0.0 112.97 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 t -94.2 -34.89 12.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.532 1.133 . . . . 0.0 112.967 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 124.808 1.243 . . . . 0.0 112.131 -178.88 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 p90 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -85.66 -21.68 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.733 1.213 . . . . 0.0 112.454 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -125.33 9.57 7.91 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.239 1.815 . . . . 0.0 113.862 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -148.23 160.58 42.8 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.393 1.477 . . . . 0.0 112.036 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -72.68 155.13 40.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.358 1.063 . . . . 0.0 110.762 166.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.6 -62.05 1.48 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.969 0.908 . . . . 0.0 110.556 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.0 m 62.26 -129.31 0.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.31 1.844 . . . . 0.0 113.637 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.83 -6.48 67.45 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.099 1.333 . . . . 0.0 115.396 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -125.43 179.52 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.321 1.848 . . . . 0.0 109.754 168.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.0 m80 62.34 -34.16 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.726 2.41 . . . . 0.0 117.484 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.29 -55.2 37.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.465 1.506 . . . . 0.0 113.477 -162.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -39.6 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 122.012 -0.43 . . . . 0.0 111.248 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.63 -49.62 62.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.335 0.654 . . . . 0.0 111.7 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -42.76 93.14 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.319 1.048 . . . . 0.0 111.967 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.12 -38.1 87.37 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.719 -0.613 . . . . 0.0 111.894 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -72.53 -36.47 68.32 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.0 -42.52 94.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 112.23 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.14 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.83 0.852 . . . . 0.0 111.622 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.64 0.85 18.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 170.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.99 -46.78 2.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.553 2.025 . . . . 0.0 114.585 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -125.38 161.42 27.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.878 1.671 . . . . 0.0 112.265 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -70.71 159.61 34.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.214 1.005 . . . . 0.0 112.104 172.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.36 -178.21 53.47 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.428 1.013 . . . . 0.0 113.078 -169.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -74.27 153.22 39.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.129 0.972 . . . . 0.0 111.156 162.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -139.54 -63.05 0.52 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.629 1.172 . . . . 0.0 113.076 -175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.306 11.6 t 50.3 125.57 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 128.86 2.864 . . . . 0.0 115.791 -161.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.51 160.06 47.57 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.003 2.469 . . . . 0.0 112.118 174.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -71.13 147.49 48.36 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.471 1.108 . . . . 0.0 111.795 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.629 1.571 . . . . 0.0 111.649 168.532 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -73.24 -30.56 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.215 1.006 . . . . 0.0 113.402 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -75.71 135.16 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.904 1.282 . . . . 0.0 111.521 -170.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -76.95 -42.75 37.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.59 2.356 . . . . 0.0 111.967 -6.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -146.54 160.4 42.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.623 1.969 . . . . 0.0 110.074 169.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.2 t -69.26 95.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.697 -0.627 . . . . 0.0 109.428 164.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.2 -25.19 1.37 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -163.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -73.63 -39.45 64.52 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.191 -0.943 . . . . 0.0 111.212 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.6 m -130.42 156.21 45.13 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.373 1.869 . . . . 0.0 110.515 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' H ' HD11 ' A' ' 10' ' ' ILE . 2.4 mp -75.33 118.76 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.05 129.32 39.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.241 0.543 . . . . 0.0 111.959 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -68.02 157.21 35.65 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.998 0.919 . . . . 0.0 110.844 165.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.84 -30.37 67.62 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.145 -0.972 . . . . 0.0 112.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -59.83 -35.58 75.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.073 0.949 . . . . 0.0 112.786 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -77.55 -34.31 53.86 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.397 -0.814 . . . . 0.0 110.963 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.53 -42.92 91.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.489 0.316 . . . . 0.0 111.008 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.8 -34.23 71.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.453 1.101 . . . . 0.0 112.419 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.06 -24.01 65.93 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.338 -0.851 . . . . 0.0 112.955 173.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -80.91 -33.26 34.3 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.563 1.074 . . . . 0.0 112.178 168.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.7 m -74.89 -20.76 59.58 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.346 1.858 . . . . 0.0 110.651 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.27 129.46 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.431 -0.793 . . . . 0.0 112.915 -166.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -141.23 111.32 6.69 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.418 1.487 . . . . 0.0 109.382 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.51 145.7 54.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.151 2.58 . . . . 0.0 112.491 -1.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -149.5 19.46 0.93 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.226 3.01 . . . . 0.0 113.703 -0.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt 46.77 -133.1 1.11 Allowed 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.251 -0.905 . . . . 0.0 110.48 -149.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t 55.12 -177.12 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.872 1.669 . . . . 0.0 113.451 -168.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.71 -138.85 43.65 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.736 1.16 . . . . 0.0 113.207 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -68.32 -30.95 70.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.536 0.734 . . . . 0.0 112.841 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -70.72 -29.7 66.03 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.934 -1.103 . . . . 0.0 113.169 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.42 -45.42 91.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.612 0.642 . . . . 0.0 112.338 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.63 -36.48 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.777 -0.577 . . . . 0.0 111.456 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.81 -31.09 72.15 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.07 -48.11 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.108 0.867 . . . . 0.0 111.601 168.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.82 -29.88 71.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.269 -0.894 . . . . 0.0 113.006 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -56.01 -27.75 54.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.485 1.114 . . . . 0.0 113.11 172.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.28 -46.32 5.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.811 1.244 . . . . 0.0 111.928 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.47 -38.7 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.859 0.863 . . . . 0.0 111.7 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.15 6.45 11.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.99 -16.57 52.93 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.118 -0.989 . . . . 0.0 113.924 169.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -77.13 -14.28 59.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.867 1.267 . . . . 0.0 113.49 170.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 48.68 52.86 13.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.098 2.159 . . . . 0.0 113.862 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.51 10.34 37.66 Favored Glycine 0 CA--C 1.54 1.62 0 N-CA-C 116.622 1.409 . . . . 0.0 116.622 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -138.17 148.99 45.43 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.253 1.821 . . . . 0.0 110.083 167.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -148.22 156.14 42.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 111.034 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -115.64 78.33 6.72 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 126.601 1.961 . . . . 0.0 111.034 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.68 141.23 71.68 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.815 2.343 . . . . 0.0 111.656 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -107.36 19.68 19.96 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.329 1.451 . . . . 0.0 113.818 -172.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.92 2.088 . . . . 0.0 111.772 -179.317 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.48 151.85 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.084 0.954 . . . . 0.0 110.763 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.07 166.98 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.716 1.206 . . . . 0.0 112.028 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.19 64.07 3.25 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.074 -1.016 . . . . 0.0 112.15 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -58.05 -31.48 67.08 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.002 -1.062 . . . . 0.0 112.106 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.9 m -70.51 -2.93 15.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.976 1.311 . . . . 0.0 114.022 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.19 -26.23 39.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.723 1.209 . . . . 0.0 112.96 175.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -121.08 -38.54 2.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.201 1.4 . . . . 0.0 112.846 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 m -94.4 154.79 17.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -95.53 110.28 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 114.61 15.97 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.806 0.843 . . . . 0.0 112.128 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -66.89 161.74 23.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 111.03 165.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -40.86 76.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.518 1.127 . . . . 0.0 111.193 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.76 -36.8 74.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.64 1.176 . . . . 0.0 113.121 172.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -75.08 -32.92 61.6 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.067 -1.021 . . . . 0.0 112.049 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.82 -37.31 87.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.072 0.396 . . . . 0.0 111.636 170.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.29 -30.19 71.38 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.027 -1.046 . . . . 0.0 112.543 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.6 -8.42 47.26 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -74.19 -19.38 60.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.349 0.977 . . . . 0.0 112.618 165.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.2 m -119.05 -21.59 7.6 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.122 1.769 . . . . 0.0 112.939 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.331 2.253 . . . . 0.0 112.712 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.67 -26.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.136 1.374 . . . . 0.0 113.663 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -82.0 -21.25 37.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.488 1.115 . . . . 0.0 113.766 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -139.1 169.11 18.39 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.762 1.625 . . . . 0.0 111.334 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -61.59 143.21 56.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.26 121.36 40.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.68 1.592 . . . . 0.0 108.518 173.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -156.26 136.45 12.91 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.45 -39.08 0.72 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.375 1.941 . . . . 0.0 114.889 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -135.27 167.65 20.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.81 2.444 . . . . 0.0 110.699 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 63.42 -28.87 0.09 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.264 2.626 . . . . 0.0 117.676 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.3 tp -56.15 -47.48 78.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.269 1.395 . . . . 0.0 112.228 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.45 -36.47 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 123.276 0.63 . . . . 0.0 112.269 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.91 -44.91 68.71 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 111.082 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.74 89.56 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.578 0.751 . . . . 0.0 111.53 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -66.61 -41.77 87.89 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.58 -30.09 70.3 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.36 0.982 . . . . 0.0 113.174 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.76 -36.14 50.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.825 0.85 . . . . 0.0 112.849 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.66 -46.6 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.855 1.262 . . . . 0.0 111.208 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -91.67 53.61 2.28 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.885 1.274 . . . . 0.0 111.229 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.01 -30.03 69.26 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.784 1.183 . . . . 0.0 115.274 -170.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -80.28 64.76 5.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.503 1.121 . . . . 0.0 109.536 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -68.94 145.13 53.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -162.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.0 139.63 5.08 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.293 1.902 . . . . 0.0 110.443 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.2 t80 63.06 -41.03 0.19 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.451 2.701 . . . . 0.0 115.663 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 64.55 -50.14 0.31 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.539 3.136 . . . . 0.0 118.316 160.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.1 p 44.05 69.22 2.53 Favored Pre-proline 0 N--CA 1.484 1.226 0 C-N-CA 127.515 2.326 . . . . 0.0 115.218 171.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.07 -13.98 21.11 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.623 2.882 . . . . 0.0 115.045 -172.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 60.18 175.17 0.09 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.954 2.102 . . . . 0.0 113.987 -171.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 126.353 1.861 . . . . 0.0 110.918 -179.605 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mm 60.75 169.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.367 1.867 . . . . 0.0 112.575 -170.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.65 143.85 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.716 1.606 . . . . 0.0 110.6 174.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -78.79 51.2 1.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.822 1.249 . . . . 0.0 114.172 -173.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.1 -20.68 55.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.7 1.2 . . . . 0.0 113.124 177.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.01 -3.0 6.07 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 172.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.56 -24.83 61.17 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.808 -1.183 . . . . 0.0 112.861 169.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -126.6 -35.21 2.36 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.248 1.419 . . . . 0.0 113.366 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -90.98 176.12 6.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.24 1.416 . . . . 0.0 110.828 162.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -117.87 138.41 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.602 1.161 . . . . 0.0 110.251 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -132.21 166.63 21.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.927 1.691 . . . . 0.0 112.326 -172.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -137.87 178.8 6.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.002 1.321 . . . . 0.0 111.669 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.86 -42.98 38.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.124 1.77 . . . . 0.0 112.925 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -57.87 -34.89 70.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.332 1.053 . . . . 0.0 113.413 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -80.02 -41.22 26.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.66 0.784 . . . . 0.0 111.125 176.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -26.8 67.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -58.12 -29.07 65.23 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.245 -0.91 . . . . 0.0 113.187 170.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -16.0 62.8 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.868 1.213 . . . . 0.0 113.552 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.04 -13.91 59.89 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.924 1.29 . . . . 0.0 113.414 175.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.96 -40.94 0.22 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -170.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 111.655 179.734 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.278 5.6 p 53.61 -44.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 1 C-N-CA 132.437 4.295 . . . . 0.0 118.471 168.472 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -122.42 -7.71 8.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.88 2.072 . . . . 0.0 112.714 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -133.83 150.14 51.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.987 1.315 . . . . 0.0 113.131 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -66.75 157.14 33.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.669 1.987 . . . . 0.0 113.24 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -137.07 121.96 18.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.648 1.579 . . . . 0.0 109.919 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -142.78 149.64 38.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.552 1.141 . . . . 0.0 111.403 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.46 -132.44 42.98 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 123.836 0.731 . . . . 0.0 113.673 175.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.04 -33.81 67.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.239 1.016 . . . . 0.0 113.563 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -69.03 -34.31 75.02 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.408 -0.807 . . . . 0.0 112.11 177.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -38.06 73.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.121 0.568 . . . . 0.0 111.56 171.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.64 -44.85 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.096 0.862 . . . . 0.0 111.174 174.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.98 -42.72 97.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.501 -0.75 . . . . 0.0 112.189 174.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.62 90.55 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.52 -0.738 . . . . 0.0 112.587 175.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.83 -38.33 86.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.024 0.93 . . . . 0.0 111.963 174.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -70.14 -26.04 63.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.41 -34.47 76.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.489 1.116 . . . . 0.0 112.933 169.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.4 t -92.4 -46.04 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.743 -174.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.66 96.73 6.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.93 1.292 . . . . 0.0 109.457 174.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.76 -29.09 73.5 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 123.903 0.764 . . . . 0.0 114.208 -177.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.38 121.85 26.75 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.43 1.092 . . . . 0.0 109.698 167.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -77.31 -15.7 59.3 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.64 -27.57 73.58 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 118.243 0.474 . . . . 0.0 113.189 161.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.1 t80 51.23 -105.0 0.18 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.928 1.291 . . . . 0.0 111.868 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 t80 62.59 -50.0 0.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 129.144 2.978 . . . . 0.0 117.025 174.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 75.8 p 43.34 66.78 4.24 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 127.694 2.397 . . . . 0.0 115.082 170.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.6 157.73 57.89 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.587 2.858 . . . . 0.0 112.812 -177.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -81.34 155.66 25.88 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.801 1.24 . . . . 0.0 112.17 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 43.8 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 126.354 1.862 . . . . 0.0 110.996 -179.101 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.413 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 mm -107.46 -16.98 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 128.681 2.792 . . . . 0.0 112.246 -0.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.16 -26.76 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -165.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -70.89 -10.99 60.69 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 174.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -89.66 -41.44 11.94 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.01 1.324 . . . . 0.0 112.604 174.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -133.84 4.6 3.58 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 -165.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.4 142.23 34.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.114 1.324 . . . . 0.0 111.157 168.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p 54.15 17.91 1.6 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.027 1.731 . . . . 0.0 114.703 -170.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -153.29 151.94 30.58 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.642 1.977 . . . . 0.0 111.065 -171.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.1 mt -76.06 133.89 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.553 0.741 . . . . 0.0 110.901 -173.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -134.64 140.3 45.95 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.239 1.016 . . . . 0.0 113.121 171.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.66 158.64 32.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.932 1.293 . . . . 0.0 111.197 162.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.85 -21.26 65.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.162 -0.961 . . . . 0.0 113.477 171.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.57 -30.18 70.5 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 112.232 167.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.02 -33.18 17.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.187 0.995 . . . . 0.0 111.292 -178.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.25 -21.98 60.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 173.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.9 -22.37 25.31 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 169.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -64.5 -24.63 67.68 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.14 1.336 . . . . 0.0 113.138 175.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -75.67 -13.66 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 112.796 171.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.8 -48.37 2.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.816 1.246 . . . . 0.0 113.422 -166.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.512 1.125 . . . . 0.0 111.788 -169.761 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.43 -13.48 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.654 1.582 . . . . 0.0 113.476 -168.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -137.77 20.26 2.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.95 1.7 . . . . 0.0 113.528 -171.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -139.18 170.15 16.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.408 1.483 . . . . 0.0 112.341 -177.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -77.9 -11.19 59.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 59.39 -34.9 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 130.732 3.613 . . . . 0.0 118.852 171.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -80.64 138.4 36.41 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.896 -1.752 . . . . 0.0 113.416 -159.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.45 -31.57 8.81 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 128.07 2.748 . . . . 0.0 114.807 -7.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.51 -50.49 58.56 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.178 0.989 . . . . 0.0 113.015 -167.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -68.06 -29.09 67.97 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.576 -0.702 . . . . 0.0 112.356 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.34 -47.61 78.7 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.658 1.183 . . . . 0.0 110.704 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.58 -44.3 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.577 0.751 . . . . 0.0 111.293 176.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.34 -39.92 95.87 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.469 -0.769 . . . . 0.0 112.835 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.46 85.81 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.646 -0.659 . . . . 0.0 111.801 174.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.73 -23.72 62.49 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -74.02 -3.62 30.39 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 167.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -116.63 -39.72 3.28 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.159 1.384 . . . . 0.0 112.86 176.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.58 -30.37 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.233 1.413 . . . . 0.0 111.272 173.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -128.83 -165.88 1.56 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.55 1.94 . . . . 0.0 109.536 169.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -47.78 2.47 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.622 1.582 . . . . 0.0 113.496 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.2 -24.53 64.95 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.703 1.201 . . . . 0.0 111.403 163.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -113.34 153.45 28.48 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.492 1.917 . . . . 0.0 110.467 167.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.0 130.12 38.71 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.57 0.605 . . . . 0.0 112.688 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.5 t80 45.26 69.0 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.19 1.796 . . . . 0.0 114.39 177.266 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.32 138.9 58.25 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.485 -0.759 . . . . 0.0 111.635 169.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.7 p -132.78 129.12 21.1 Favored Pre-proline 0 N--CA 1.472 0.649 0 C-N-CA 124.775 1.23 . . . . 0.0 110.533 170.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -76.59 159.97 35.22 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.238 2.625 . . . . 0.0 112.627 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -141.52 143.19 33.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.727 1.611 . . . . 0.0 111.006 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.554 1.942 . . . . 0.0 113.113 -178.157 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.77 138.18 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.794 0.838 . . . . 0.0 110.834 178.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.91 -31.4 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.267 1.027 . . . . 0.0 113.628 -170.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -82.81 -11.37 58.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.18 0.992 . . . . 0.0 113.144 174.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 49.39 26.72 1.71 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.79 2.036 . . . . 0.0 114.842 178.049 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m 45.88 34.06 1.79 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.772 1.229 . . . . 0.0 113.842 -170.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.8 137.61 54.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.349 1.46 . . . . 0.0 110.265 -173.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.264 14.3 p 55.51 -34.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 128.653 2.781 . . . . 0.0 115.974 -161.286 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -90.69 152.76 20.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.829 1.652 . . . . 0.0 111.615 160.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.82 146.86 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.465 1.506 . . . . 0.0 112.192 -168.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.76 166.47 22.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.092 1.357 . . . . 0.0 113.256 178.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -141.12 172.26 12.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.722 2.009 . . . . 0.0 110.475 171.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.67 -29.6 62.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 176.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.12 -28.36 70.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.069 0.948 . . . . 0.0 113.091 171.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.66 -47.17 27.48 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.607 -0.683 . . . . 0.0 109.879 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.97 -44.05 94.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.672 0.389 . . . . 0.0 111.535 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.79 -23.98 66.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.131 -0.981 . . . . 0.0 113.618 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -82.02 -28.0 32.77 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.031 1.332 . . . . 0.0 112.451 174.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -72.76 -30.16 63.91 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.28 -0.887 . . . . 0.0 112.068 174.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.1 m -66.91 -39.15 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.669 0.788 . . . . 0.0 112.828 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.026 1.33 . . . . 0.0 110.873 174.575 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.85 129.43 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.464 1.506 . . . . 0.0 111.435 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.02 38.43 12.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.91 2.084 . . . . 0.0 113.876 178.6 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 169.25 21.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 113.211 -175.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -72.73 143.66 47.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.806 169.015 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 tp -144.99 62.53 1.3 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.177 1.391 . . . . 0.0 110.442 -174.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.11 163.82 27.58 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.255 1.022 . . . . 0.0 112.587 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.74 -155.96 49.66 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.451 1.024 . . . . 0.0 115.448 167.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -60.99 -23.5 65.43 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.764 1.226 . . . . 0.0 114.135 -175.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -59.94 -27.22 66.6 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.085 0.954 . . . . 0.0 112.618 174.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.41 -51.13 62.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.07 0.948 . . . . 0.0 112.07 177.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -72.17 -32.43 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.057 0.543 . . . . 0.0 112.388 -177.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -63.73 -45.75 88.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.02 0.528 . . . . 0.0 111.353 170.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.88 82.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 112.511 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.84 -44.91 96.32 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.405 -0.809 . . . . 0.0 111.74 174.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.54 -36.53 84.5 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 172.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.35 -35.05 73.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.167 0.894 . . . . 0.0 113.403 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -74.26 -47.25 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.472 1.109 . . . . 0.0 111.448 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.51 -27.69 20.14 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -168.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.33 -123.79 26.49 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.552 1.072 . . . . 0.0 114.287 168.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.67 -1.73 56.52 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.965 1.306 . . . . 0.0 114.058 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -68.76 151.75 46.23 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.364 1.066 . . . . 0.0 111.521 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.6 145.98 48.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.736 0.684 . . . . 0.0 113.649 173.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 t80 57.95 153.65 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.785 2.834 . . . . 0.0 117.066 -174.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -159.37 153.17 23.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.752 1.621 . . . . 0.0 111.352 174.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.2 p -125.8 118.57 24.19 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.63 1.172 . . . . 0.0 110.236 166.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -69.42 157.23 61.8 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.933 2.422 . . . . 0.0 113.755 176.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -134.04 154.35 51.21 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.12 1.768 . . . . 0.0 111.112 172.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.589 1.956 . . . . 0.0 113.053 -178.305 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.948 -0.461 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.1 mm -72.83 -49.36 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.872 0.869 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.66 162.41 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.992 2.117 . . . . 0.0 110.43 176.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.62 -1.7 25.82 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -59.48 -29.28 67.72 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -172.027 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -90.04 2.3 55.35 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 175.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.7 -38.74 6.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.161 1.785 . . . . 0.0 111.956 167.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -82.56 -28.99 30.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.376 1.07 . . . . 0.0 112.812 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -133.3 -178.56 5.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.731 2.012 . . . . 0.0 110.725 173.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mt -111.74 129.28 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.202 1.401 . . . . 0.0 109.762 -170.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.02 138.02 45.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.216 1.006 . . . . 0.0 113.639 -170.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -89.8 162.99 15.24 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.961 1.704 . . . . 0.0 112.235 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.8 -36.39 74.4 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.046 0.938 . . . . 0.0 113.458 -172.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.7 -37.63 76.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.491 1.116 . . . . 0.0 112.728 175.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.3 -31.69 71.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 111.078 178.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.2 -43.06 65.06 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.119 0.568 . . . . 0.0 111.273 175.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.89 -31.58 66.89 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.275 -0.891 . . . . 0.0 112.896 173.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.16 -20.82 65.8 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 177.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -85.24 -25.44 27.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.277 0.944 . . . . 0.0 112.851 170.057 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -80.25 -30.18 38.43 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.495 1.118 . . . . 0.0 112.913 175.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.25 1.42 . . . . 0.0 112.464 178.075 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.284 12.2 m 52.33 -7.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 130.223 3.409 . . . . 0.0 118.766 172.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -157.03 135.02 11.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.455 1.902 . . . . 0.0 109.759 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -78.96 -152.57 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.57 2.748 . . . . 0.0 110.838 -8.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -51.33 146.82 6.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.554 1.942 . . . . 0.0 112.434 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.9 mt -88.53 12.22 15.07 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.183 0.993 . . . . 0.0 113.451 -174.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.65 164.03 20.11 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.42 -1.425 . . . . 0.0 113.05 -178.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.49 41.81 24.06 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 113.273 -174.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m 62.69 7.91 2.74 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.123 2.169 . . . . 0.0 116.658 -178.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -68.02 -27.93 66.97 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.582 -1.324 . . . . 0.0 111.614 169.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.91 -48.26 82.06 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.046 1.738 . . . . 0.0 112.945 177.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.51 -36.43 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.467 0.576 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.61 -43.86 97.75 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.84 -0.537 . . . . 0.0 111.445 171.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.16 98.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.35 0.66 . . . . 0.0 111.737 174.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.46 -46.56 89.53 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.148 0.979 . . . . 0.0 112.235 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.09 -44.61 96.3 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.968 0.507 . . . . 0.0 112.164 177.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.41 -31.65 65.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -71.88 -47.32 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.256 1.022 . . . . 0.0 111.513 175.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -88.97 -32.03 17.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -169.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.64 -131.49 12.01 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.785 1.474 . . . . 0.0 116.785 161.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.93 -28.77 70.06 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.737 1.215 . . . . 0.0 114.063 -171.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -88.66 6.74 36.95 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 175.511 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.74 130.74 1.52 Allowed Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.232 1.873 . . . . 0.0 113.685 171.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.2 t80 64.38 154.94 0.06 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.612 2.365 . . . . 0.0 115.786 175.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -155.78 147.92 23.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.538 1.535 . . . . 0.0 111.677 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -133.57 137.24 28.44 Favored Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.112 0.965 . . . . 0.0 110.18 160.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.09 142.46 34.41 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.707 2.272 . . . . 0.0 111.178 173.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -88.14 156.17 19.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.818 1.647 . . . . 0.0 113.19 177.547 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.57 155.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.106 0.962 . . . . 0.0 112.999 178.653 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.28 -30.9 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 178.203 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.48 -34.03 71.92 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.141 -0.974 . . . . 0.0 113.041 -177.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 50.51 33.17 7.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.873 1.669 . . . . 0.0 114.57 168.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.9 m 56.5 -80.72 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.812 1.645 . . . . 0.0 113.035 -162.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m 37.51 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.444 3.498 . . . . 0.0 117.266 170.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -61.64 -22.44 65.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.56 1.544 . . . . 0.0 112.798 175.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -129.95 160.43 33.62 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.921 1.688 . . . . 0.0 113.039 176.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.3 mt -91.82 108.82 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.502 1.121 . . . . 0.0 108.235 175.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -72.75 141.13 48.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -88.33 163.95 15.79 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.264 1.426 . . . . 0.0 110.946 161.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -53.02 -41.28 64.56 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.336 1.455 . . . . 0.0 112.089 -177.289 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.88 -35.74 64.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.535 1.134 . . . . 0.0 113.496 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -79.44 -35.86 39.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.105 0.962 . . . . 0.0 111.128 178.061 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.02 -34.29 75.93 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.65 0.78 . . . . 0.0 112.293 176.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.44 -22.95 64.02 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.21 -32.39 71.63 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.065 -1.022 . . . . 0.0 112.653 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -76.43 -9.35 58.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.285 1.034 . . . . 0.0 113.327 178.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 m -75.3 -13.85 60.45 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.718 1.207 . . . . 0.0 111.979 -179.246 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.87 -45.12 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.119 1.768 . . . . 0.0 112.838 -176.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -156.22 158.63 37.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.145 0.978 . . . . 0.0 112.73 -172.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -92.74 88.36 6.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.763 1.225 . . . . 0.0 109.889 162.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -121.4 173.61 7.26 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.26 3.424 . . . . 0.0 112.335 8.648 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.38 86.83 5.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 110.343 173.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -140.85 151.61 44.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.559 1.144 . . . . 0.0 110.243 174.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.63 -128.44 47.46 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.601 -0.687 . . . . 0.0 112.623 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -58.68 -32.44 69.13 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -69.19 -34.13 74.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.201 0.91 . . . . 0.0 112.766 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.73 -43.2 80.55 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.044 0.538 . . . . 0.0 110.888 170.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.33 -46.56 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.392 0.677 . . . . 0.0 111.059 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.6 -45.05 95.73 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.922 0.783 . . . . 0.0 112.279 173.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.55 93.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.986 0.514 . . . . 0.0 112.343 178.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.11 -33.36 59.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.341 -0.838 . . . . 0.0 113.056 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.38 -32.63 71.48 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.68 1.582 . . . . 0.0 112.541 171.061 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.74 -15.13 59.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -120.02 -44.04 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.625 1.17 . . . . 0.0 112.979 -172.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.8 -20.94 13.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.58 1.552 . . . . 0.0 114.079 -178.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.94 149.29 34.33 Favored Glycine 0 CA--C 1.542 1.769 0 C-N-CA 124.43 1.014 . . . . 0.0 114.613 -168.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.51 -18.86 58.5 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.302 2.641 . . . . 0.0 114.253 5.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 52.34 27.13 4.55 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.186 1.794 . . . . 0.0 114.584 177.798 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 18.79 56.92 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.594 1.093 . . . . 0.0 114.815 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 62.83 -50.88 0.19 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.076 2.95 . . . . 0.0 116.921 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 47.97 82.4 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.74 2.016 . . . . 0.0 113.092 -165.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -116.3 78.82 8.4 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 125.484 1.514 . . . . 0.0 109.927 176.204 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.91 157.05 63.43 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.538 2.825 . . . . 0.0 112.994 -174.019 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -144.48 148.14 34.17 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.466 1.506 . . . . 0.0 111.516 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.207 1.803 . . . . 0.0 112.638 -178.412 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -152.84 139.92 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.664 1.186 . . . . 0.0 111.663 -175.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -153.22 35.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.772 1.229 . . . . 0.0 112.088 178.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.0 4.85 5.92 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -169.211 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 68.05 149.19 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.059 2.544 . . . . 0.0 115.72 177.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.78 -37.78 6.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.109 1.364 . . . . 0.0 111.593 176.16 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 44.38 -88.67 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.93 3.292 . . . . 0.0 116.703 165.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -73.19 -16.14 61.43 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.528 1.131 . . . . 0.0 113.287 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -106.9 161.99 14.22 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.806 1.642 . . . . 0.0 112.09 172.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.71 129.26 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.436 1.494 . . . . 0.0 109.466 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m -115.36 84.47 2.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.989 0.915 . . . . 0.0 110.553 174.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -66.16 171.24 4.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.668 1.187 . . . . 0.0 111.991 170.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -46.32 -41.45 13.31 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.009 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.48 -39.02 89.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.25 -31.96 58.61 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 111.857 175.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.94 -32.98 74.95 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.987 -0.445 . . . . 0.0 112.03 171.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.7 -24.76 61.04 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 113.17 166.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -67.12 -28.6 68.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.643 -1.286 . . . . 0.0 112.337 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -63.14 -16.05 58.77 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.995 -1.066 . . . . 0.0 113.75 171.405 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.66 -14.54 59.96 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.741 1.216 . . . . 0.0 111.737 -179.903 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -67.01 -16.76 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -163.262 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -152.01 50.18 0.79 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.737 2.015 . . . . 0.0 110.18 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -132.31 160.94 34.79 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -168.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -66.18 132.37 48.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.688 1.195 . . . . 0.0 110.341 162.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.2 mt -137.88 96.76 3.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.978 0.911 . . . . 0.0 110.995 -173.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.56 -151.76 0.21 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.191 1.396 . . . . 0.0 111.952 -177.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.23 135.83 39.85 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.951 -1.093 . . . . 0.0 111.227 165.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 p 59.35 162.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.367 1.867 . . . . 0.0 114.415 -161.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 63.02 -38.01 0.16 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.725 2.41 . . . . 0.0 116.0 -172.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.28 -40.91 78.73 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.896 1.226 . . . . 0.0 111.439 167.19 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.66 -49.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.032 1.333 . . . . 0.0 110.172 176.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.44 -38.87 85.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.77 0.828 . . . . 0.0 111.928 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.29 99.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.721 0.809 . . . . 0.0 112.024 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -71.29 -33.83 70.09 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.708 -1.245 . . . . 0.0 113.078 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.81 6.77 2.97 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 169.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.97 -8.55 10.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.636 1.574 . . . . 0.0 113.821 167.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -126.36 -55.65 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.807 1.243 . . . . 0.0 113.189 -173.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.5 t -85.55 -33.39 21.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.654 0.661 . . . . 0.0 112.336 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.62 -175.17 13.7 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.234 1.397 . . . . 0.0 112.233 171.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.03 -108.63 0.27 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.401 1.481 . . . . 0.0 109.402 172.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.78 -12.76 60.8 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.067 0.947 . . . . 0.0 112.93 166.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.93 -172.78 29.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.987 2.232 . . . . 0.0 111.844 174.389 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -151.99 160.27 43.52 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.526 1.93 . . . . 0.0 109.954 173.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -151.1 138.3 19.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.853 0.861 . . . . 0.0 112.962 175.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -104.56 111.32 65.19 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 126.229 1.812 . . . . 0.0 110.942 174.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.09 73.75 5.61 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.835 3.024 . . . . 0.0 112.017 -178.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 -179.69 6.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.91 2.084 . . . . 0.0 112.008 178.638 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.471 1.908 . . . . 0.0 113.553 -179.573 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp -142.0 137.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.853 1.261 . . . . 0.0 111.183 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.83 2.48 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.273 1.429 . . . . 0.0 114.307 -175.131 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -128.62 132.45 48.14 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.033 2.133 . . . . 0.0 108.758 174.232 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -131.8 140.61 49.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.127 0.571 . . . . 0.0 112.498 -171.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.96 41.01 0.49 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.416 1.487 . . . . 0.0 112.459 174.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -87.11 -25.71 24.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.255 1.422 . . . . 0.0 111.896 177.012 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -117.63 136.14 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.789 1.636 . . . . 0.0 109.027 162.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t 56.58 153.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.693 1.197 . . . . 0.0 113.584 -148.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.2 mt -89.6 -24.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.583 1.153 . . . . 0.0 111.822 -173.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m 62.01 160.43 0.07 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.303 2.241 . . . . 0.0 115.917 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -97.64 153.41 18.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.559 1.544 . . . . 0.0 110.629 164.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -25.19 68.14 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.056 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.14 -34.77 66.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.775 0.83 . . . . 0.0 112.853 171.061 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -71.08 -36.86 72.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.42 -0.8 . . . . 0.0 111.027 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.33 -45.76 79.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.615 0.766 . . . . 0.0 110.721 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.69 -33.71 68.66 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.519 -0.738 . . . . 0.0 112.411 172.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.61 -23.62 64.48 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.223 -0.923 . . . . 0.0 113.453 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.0 -11.73 60.9 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.838 -1.164 . . . . 0.0 113.207 169.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -109.77 -0.53 18.41 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.413 2.285 . . . . 0.0 113.276 175.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 126.12 1.768 . . . . 0.0 112.024 -174.335 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.54 0.564 0 CA-C-O 121.167 0.508 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -112.62 -1.8 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.951 1.7 . . . . 0.0 111.535 161.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -123.84 5.31 8.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.684 1.994 . . . . 0.0 112.656 173.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -144.04 142.91 30.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.945 1.698 . . . . 0.0 110.585 178.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -65.47 152.16 44.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.113 1.765 . . . . 0.0 113.45 -174.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.36 96.51 6.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.818 1.647 . . . . 0.0 110.097 176.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -95.55 -168.91 1.86 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.373 1.469 . . . . 0.0 112.15 176.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.77 137.86 30.71 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 121.301 -0.874 . . . . 0.0 113.348 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m 61.83 -39.89 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.662 2.385 . . . . 0.0 115.86 -167.389 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -61.75 -41.8 98.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.039 1.291 . . . . 0.0 111.731 176.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.5 -36.91 85.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.182 1.393 . . . . 0.0 112.4 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.73 -47.86 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.453 0.701 . . . . 0.0 110.147 177.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.81 -39.95 95.84 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.277 0.631 . . . . 0.0 112.081 174.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.78 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.361 0.664 . . . . 0.0 112.324 176.039 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.39 -39.23 91.97 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.356 -0.84 . . . . 0.0 112.334 178.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.52 -17.31 64.74 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.52 -43.56 10.15 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.493 1.117 . . . . 0.0 112.4 171.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.13 -40.04 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.944 1.297 . . . . 0.0 112.529 -174.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -86.7 5.3 36.84 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.55 129.46 36.55 Favored Glycine 0 CA--C 1.543 1.805 0 CA-C-N 120.064 1.302 . . . . 0.0 111.118 170.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -111.11 31.49 6.02 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 130.686 3.594 . . . . 0.0 113.851 6.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -62.6 -24.52 67.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.609 1.564 . . . . 0.0 113.617 -178.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.23 -3.66 33.26 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.368 1.461 . . . . 0.0 115.228 175.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -56.9 140.75 47.43 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.406 1.082 . . . . 0.0 113.3 -176.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -111.55 -35.97 5.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.407 1.483 . . . . 0.0 111.5 166.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.5 m 60.46 69.78 1.1 Allowed Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 125.942 1.697 . . . . 0.0 111.993 174.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.67 -14.37 39.2 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.672 2.915 . . . . 0.0 114.617 -170.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -83.16 5.61 22.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.193 1.397 . . . . 0.0 114.739 -179.135 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 128.873 2.869 . . . . 0.0 113.439 -179.516 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 112.299 -0.32 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.27 -37.32 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.448 1.099 . . . . 0.0 112.285 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.56 -33.89 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.168 1.387 . . . . 0.0 113.416 -170.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.99 -2.08 41.22 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 57.94 176.36 0.06 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.352 1.861 . . . . 0.0 113.49 -168.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.97 67.8 8.11 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.257 -1.527 . . . . 0.0 109.866 175.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 153.25 25.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.549 1.94 . . . . 0.0 112.579 -171.186 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.304 4.4 t 56.23 -43.83 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 130.098 3.359 . . . . 0.0 116.981 -176.17 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 p -109.13 155.35 21.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.176 1.791 . . . . 0.0 111.582 167.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mt -93.79 123.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 110.709 -175.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -75.66 154.19 36.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.074 1.75 . . . . 0.0 111.699 172.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.2 p -80.83 154.56 27.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.212 -0.93 . . . . 0.0 111.099 165.166 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.06 -30.92 69.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.01 0.924 . . . . 0.0 112.513 -177.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -53.33 -32.9 51.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.645 1.578 . . . . 0.0 113.616 171.258 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -71.5 -26.87 62.86 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.187 -0.946 . . . . 0.0 112.253 -177.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.12 -25.63 67.07 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.347 1.059 . . . . 0.0 112.818 -177.512 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.46 -31.56 69.43 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.525 1.13 . . . . 0.0 113.137 170.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.89 -28.16 68.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.257 -0.902 . . . . 0.0 112.877 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.24 -25.58 65.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.099 . . . . 0.0 112.568 173.215 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 t -83.23 -24.29 32.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.636 1.174 . . . . 0.0 112.507 178.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 p30 . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 125.55 1.54 . . . . 0.0 111.763 177.46 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.83 106.87 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 125.407 1.483 . . . . 0.0 110.709 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -132.49 149.47 52.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.759 2.824 . . . . 0.0 112.221 -5.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -157.64 -177.96 6.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.997 2.119 . . . . 0.0 110.728 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -71.18 131.11 43.05 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.106 -0.996 . . . . 0.0 109.925 160.194 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -107.53 78.37 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.22 1.008 . . . . 0.0 108.359 172.022 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -145.05 130.09 18.4 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.182 1.393 . . . . 0.0 110.915 -176.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.13 -32.91 0.53 Allowed Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.868 1.699 . . . . 0.0 115.684 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -145.13 170.5 16.11 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.044 2.137 . . . . 0.0 110.772 174.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m80 60.2 -22.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.766 2.826 . . . . 0.0 117.081 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.3 tp -52.08 -51.83 55.17 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.624 1.57 . . . . 0.0 112.94 -172.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.6 -48.96 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.235 0.925 . . . . 0.0 112.492 -173.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.3 -37.66 83.73 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.222 -0.924 . . . . 0.0 112.065 176.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.225 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -68.87 -49.45 58.17 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.412 -0.805 . . . . 0.0 111.507 171.444 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -62.84 -40.78 98.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.598 0.759 . . . . 0.0 112.875 -172.323 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.26 -17.03 61.37 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -85.44 -45.16 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.146 0.978 . . . . 0.0 111.412 177.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 t -81.91 -16.6 50.05 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 176.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.22 10.13 66.44 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.433 1.492 . . . . 0.0 115.849 172.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -152.94 150.7 29.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.19 1.396 . . . . 0.0 111.053 178.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -83.91 -18.15 38.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.79 38.77 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.033 1.302 . . . . 0.0 113.429 171.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -131.87 156.1 46.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.387 1.475 . . . . 0.0 113.788 -175.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -141.09 144.67 35.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.768 1.627 . . . . 0.0 110.328 163.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -136.37 112.34 10.09 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 125.083 1.353 . . . . 0.0 110.506 176.077 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -73.68 150.42 45.02 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.769 2.313 . . . . 0.0 111.422 174.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -150.73 167.34 27.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 112.639 -178.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.252 1.232 0 C-N-CA 127.489 2.315 . . . . 0.0 113.318 175.136 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 mp -82.13 132.61 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.041 0.936 . . . . 0.0 109.222 176.397 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 m -87.19 179.72 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.553 1.541 . . . . 0.0 112.344 -179.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.01 -20.25 64.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -95.57 151.58 19.2 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.377 . . . . 0.0 111.966 173.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.9 t -28.82 110.86 0.05 Allowed 'General case' 0 N--CA 1.478 0.961 1 C-N-CA 134.993 5.317 . . . . 0.0 118.547 5.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -143.75 160.1 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.242 2.217 . . . . 0.0 110.355 174.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.301 3.2 t 57.02 -42.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 130.301 3.44 . . . . 0.0 117.307 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.6 m -93.04 153.7 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.712 163.565 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -95.74 114.07 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.888 0.875 . . . . 0.0 109.207 -179.462 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -76.45 146.81 38.32 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.022 1.329 . . . . 0.0 113.106 -178.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.48 165.81 13.59 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.082 1.353 . . . . 0.0 111.32 168.186 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.28 -29.64 64.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.869 0.868 . . . . 0.0 112.736 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -53.45 -37.14 62.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.697 1.199 . . . . 0.0 113.171 173.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -73.27 -35.18 66.15 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.529 -0.732 . . . . 0.0 111.469 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -71.43 -40.91 70.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.362 0.665 . . . . 0.0 111.056 175.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.21 -28.32 69.06 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.177 -0.952 . . . . 0.0 112.792 173.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -67.95 -30.52 69.84 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.114 0.87 . . . . 0.0 112.717 173.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -76.61 -33.94 58.4 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.259 170.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.8 m -66.44 -37.47 85.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.823 0.849 . . . . 0.0 112.606 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 125.869 1.668 . . . . 0.0 110.57 178.18 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.548 0.689 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t 64.9 -35.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 127.884 2.474 . . . . 0.0 114.399 -167.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.8 -34.5 77.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.297 1.439 . . . . 0.0 112.367 165.318 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -154.02 169.04 24.46 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.84 1.656 . . . . 0.0 111.697 -172.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -61.73 153.94 26.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.969 1.308 . . . . 0.0 113.409 -177.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.73 20.68 12.81 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.699 1.6 . . . . 0.0 113.079 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.14 151.55 42.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.558 1.543 . . . . 0.0 114.48 -170.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.32 -85.29 1.57 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.899 1.238 . . . . 0.0 111.702 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 70.0 m -133.64 -13.27 2.6 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -178.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.5 -27.12 69.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.902 1.228 . . . . 0.0 113.123 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -63.41 -26.02 68.55 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 173.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.68 -44.19 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.387 0.994 . . . . 0.0 110.179 174.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.83 -29.74 70.26 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.382 0.673 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.95 -44.05 56.22 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.329 1.052 . . . . 0.0 112.262 169.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.93 -35.93 79.85 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.262 1.025 . . . . 0.0 112.268 -178.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.23 -6.08 12.5 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.184 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.1 -22.24 10.12 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.619 1.567 . . . . 0.0 113.333 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -78.94 -35.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.445 1.098 . . . . 0.0 110.851 169.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 p -141.68 76.93 1.57 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.933 2.093 . . . . 0.0 110.735 165.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -25.79 0.03 OUTLIER Glycine 0 CA--C 1.535 1.329 0 O-C-N 118.366 -2.709 . . . . 0.0 114.809 -0.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -146.28 49.16 1.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.592 1.196 . . . . 0.0 111.026 178.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 61.81 -16.43 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 127.49 2.316 . . . . 0.0 116.129 -170.231 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.25 165.5 23.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.997 1.284 . . . . 0.0 111.616 147.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -140.15 160.99 38.72 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.542 1.537 . . . . 0.0 111.91 -176.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -154.61 148.79 25.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.959 1.304 . . . . 0.0 111.272 164.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -144.05 140.46 17.05 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.486 0.714 . . . . 0.0 111.324 160.241 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -81.97 11.64 3.06 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 124.098 3.198 . . . . 0.0 113.594 174.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -48.98 139.03 10.81 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.486 1.368 0 C-N-CA 127.677 2.391 . . . . 0.0 114.901 169.201 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.439 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tp -148.39 147.66 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.651 1.581 . . . . 0.0 110.206 170.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.31 141.19 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 0.0 111.002 -177.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 51.62 39.96 26.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.405 1.482 . . . . 0.0 113.388 -176.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 158.58 4.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.933 2.093 . . . . 0.0 115.23 -178.592 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.04 -73.18 0.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.531 1.532 . . . . 0.0 112.411 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 40.59 -91.31 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.757 2.823 . . . . 0.0 115.93 176.174 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 m -61.99 -25.13 67.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.498 1.519 . . . . 0.0 112.855 177.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -105.22 153.59 21.37 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.1 1.76 . . . . 0.0 112.043 175.1 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.94 143.35 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.427 1.091 . . . . 0.0 110.625 177.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 m -132.87 162.73 30.8 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.634 1.574 . . . . 0.0 112.422 177.506 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -144.84 177.6 8.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.517 2.327 . . . . 0.0 109.148 173.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.43 -41.95 41.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.132 1.373 . . . . 0.0 113.04 -177.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -57.77 -35.78 71.25 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.707 1.203 . . . . 0.0 113.327 176.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -80.54 -38.07 30.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.787 0.835 . . . . 0.0 111.242 176.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.4 -35.24 79.82 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.453 0.701 . . . . 0.0 112.67 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.71 -34.85 54.27 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.687 1.195 . . . . 0.0 112.942 170.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.45 -16.38 62.92 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 -24.58 44.82 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.11 0.868 . . . . 0.0 113.161 176.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -114.97 -31.16 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.779 0.831 . . . . 0.0 111.619 176.908 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.538 0.685 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.23 -28.53 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.323 1.449 . . . . 0.0 112.642 -177.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 48.76 36.46 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.963 2.105 . . . . 0.0 114.721 174.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -141.23 106.78 5.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.282 1.833 . . . . 0.0 108.844 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.6 m80 49.71 50.92 17.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.52 1.528 . . . . 0.0 114.669 167.321 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.08 111.25 1.25 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.532 1.133 . . . . 0.0 111.302 -173.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -143.24 151.04 40.12 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.93 1.292 . . . . 0.0 110.961 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.96 -127.37 40.97 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 123.434 0.54 . . . . 0.0 112.297 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -49.09 -43.77 41.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.333 . . . . 0.0 113.123 177.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.98 -21.07 62.35 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -176.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -86.77 -47.9 8.7 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.213 0.605 . . . . 0.0 111.543 172.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 m -69.5 -40.81 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.537 0.608 . . . . 0.0 112.291 -175.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.52 -33.16 74.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.311 0.96 . . . . 0.0 112.17 175.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.43 58.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.658 -0.651 . . . . 0.0 111.715 175.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.36 -32.91 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.019 -1.05 . . . . 0.0 112.394 173.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -65.77 -20.98 66.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.468 1.031 . . . . 0.0 113.711 173.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.73 -23.66 13.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.511 1.524 . . . . 0.0 113.047 179.426 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -90.15 -50.28 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.879 1.272 . . . . 0.0 111.783 175.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -97.59 30.21 3.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.164 1.786 . . . . 0.0 112.028 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.58 -153.93 13.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.659 1.123 . . . . 0.0 112.764 -175.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.1 -35.23 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.49 1.116 . . . . 0.0 112.901 173.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -163.1 -47.08 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.436 2.294 . . . . 0.0 109.164 168.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.51 178.96 53.42 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.031 0.824 . . . . 0.0 111.854 147.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -52.29 128.74 26.17 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.66 1.184 . . . . 0.0 111.565 175.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -81.83 -50.49 9.15 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -153.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 p 26.31 66.24 0.5 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 127.535 2.334 . . . . 0.0 116.053 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.8 144.11 63.95 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.082 2.521 . . . . 0.0 111.81 -174.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.93 134.08 46.94 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.659 0.783 . . . . 0.0 110.649 174.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.096 1.758 . . . . 0.0 112.626 -172.796 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 119.183 -0.437 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m 55.14 18.26 2.3 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 p -90.9 -61.7 1.61 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.044 1.338 . . . . 0.0 111.246 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -118.81 161.86 19.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.01 2.124 . . . . 0.0 109.273 165.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -59.49 115.55 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -170.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.07 122.77 22.33 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -157.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -69.45 154.32 42.19 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.94 0.896 . . . . 0.0 110.632 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.67 -29.9 70.98 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.235 -0.916 . . . . 0.0 112.41 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -56.36 -35.88 68.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.44 1.096 . . . . 0.0 113.142 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.42 -36.17 58.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.844 0.857 . . . . 0.0 111.038 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.47 -32.07 70.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.401 1.08 . . . . 0.0 112.618 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.75 -20.38 56.21 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -56.82 -34.88 68.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.847 0.859 . . . . 0.0 112.282 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -93.04 -19.86 21.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.587 1.555 . . . . 0.0 112.599 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -74.64 -34.44 62.75 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.492 0.717 . . . . 0.0 111.8 169.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 C--O 1.239 0.527 0 C-N-CA 125.903 1.681 . . . . 0.0 110.596 -178.046 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 120.95 0.405 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -133.76 -45.17 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.283 1.833 . . . . 0.0 110.227 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -110.35 172.26 6.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.133 1.773 . . . . 0.0 111.205 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.09 131.08 48.36 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.816 0.846 . . . . 0.0 111.431 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -154.44 165.41 36.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.317 3.047 . . . . 0.0 109.353 -13.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.02 154.39 35.77 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.549 1.54 . . . . 0.0 110.856 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m 64.13 138.41 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.959 2.504 . . . . 0.0 114.508 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.87 -3.85 65.13 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 128.117 2.77 . . . . 0.0 114.944 -6.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -122.68 -168.05 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.529 1.932 . . . . 0.0 111.023 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 61.43 -28.64 0.06 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.933 2.893 . . . . 0.0 116.855 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.95 -44.52 97.17 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.194 1.361 . . . . 0.0 111.998 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.77 -37.91 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 122.975 0.51 . . . . 0.0 111.858 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.76 -38.28 86.28 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.705 0.684 . . . . 0.0 112.103 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -48.88 78.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.212 0.605 . . . . 0.0 110.903 170.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.09 -38.22 85.3 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.099 -1.001 . . . . 0.0 113.249 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -57.64 -29.78 64.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.259 0.936 . . . . 0.0 112.773 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.71 -32.49 16.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.255 1.022 . . . . 0.0 113.347 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -87.21 -36.3 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.877 1.271 . . . . 0.0 112.844 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -85.45 69.27 10.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 C-N-CA 125.554 1.55 . . . . 0.0 113.352 169.235 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 119.573 -0.251 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 m 52.8 -70.92 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 130.232 3.413 . . . . 0.0 116.811 160.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -75.57 -26.94 58.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.929 1.292 . . . . 0.0 111.859 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -118.42 153.66 33.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.088 1.355 . . . . 0.0 113.908 -170.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mm -63.63 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.444 1.498 . . . . 0.0 109.427 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.71 117.23 19.13 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.525 0.679 . . . . 0.0 112.676 163.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.2 m -94.87 172.86 7.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 111.849 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.9 -38.74 62.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.532 1.133 . . . . 0.0 113.596 -170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.41 -38.15 83.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.36 1.064 . . . . 0.0 113.298 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.59 -37.09 60.11 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.508 1.123 . . . . 0.0 110.918 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.59 -38.31 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.561 1.144 . . . . 0.0 112.359 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.68 -27.07 62.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.399 1.079 . . . . 0.0 112.891 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.77 -5.66 35.73 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -94.64 -9.63 34.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.832 1.253 . . . . 0.0 113.355 167.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -113.31 -32.57 6.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.253 1.421 . . . . 0.0 112.961 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.3 p30 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.345 1.458 . . . . 0.0 112.352 179.023 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 p90 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.79 158.96 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 130.603 3.561 . . . . 0.0 113.212 -0.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.5 34.63 17.92 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.914 1.686 . . . . 0.0 115.269 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -133.21 166.43 22.49 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.796 1.238 . . . . 0.0 111.832 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.09 146.47 53.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.868 1.267 . . . . 0.0 111.658 169.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -136.28 142.23 43.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.163 1.785 . . . . 0.0 108.451 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 t -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.926 0.784 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.3 -131.53 50.7 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.405 0.447 . . . . 0.0 113.524 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -58.85 -27.81 65.5 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.525 1.13 . . . . 0.0 113.714 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -70.79 -30.59 67.11 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.368 0.986 . . . . 0.0 112.65 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.77 -46.65 65.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.443 0.565 . . . . 0.0 109.804 169.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.21 -44.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 121.579 -0.701 . . . . 0.0 111.629 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.8 -38.15 89.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.596 0.758 . . . . 0.0 112.806 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.831 0.742 . . . . 0.0 112.561 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.625 -1.297 . . . . 0.0 112.332 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -72.91 -5.71 40.27 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 171.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.0 -45.68 5.86 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.053 1.341 . . . . 0.0 111.797 166.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.06 -34.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.833 1.653 . . . . 0.0 112.552 -172.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -110.36 4.72 20.96 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.649 1.58 . . . . 0.0 113.475 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 C-N-CA 124.492 1.044 . . . . 0.0 113.523 176.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.257 30.8 t . . . . . 0 CA--C 1.555 1.164 0 CA-C-O 123.176 1.465 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.08 157.3 26.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.044 1.738 . . . . 0.0 110.384 158.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m 65.31 -50.2 0.36 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.649 2.379 . . . . 0.0 115.789 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -107.03 153.97 21.82 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.877 1.671 . . . . 0.0 111.64 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -102.44 130.68 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.449 1.1 . . . . 0.0 109.793 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -101.09 156.07 17.63 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.7 1.6 . . . . 0.0 113.963 -168.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -84.25 153.06 23.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.154 1.382 . . . . 0.0 111.521 167.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.23 -23.89 66.92 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.428 -0.795 . . . . 0.0 112.019 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -57.47 -35.18 69.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 112.458 170.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.84 -37.69 73.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.407 -0.808 . . . . 0.0 110.739 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -65.51 -40.25 92.78 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.139 0.576 . . . . 0.0 111.296 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.91 -35.25 80.55 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.109 -0.995 . . . . 0.0 112.32 172.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -67.61 -30.56 70.18 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.514 -0.741 . . . . 0.0 112.47 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -71.27 -39.14 71.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.106 0.866 . . . . 0.0 111.673 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.67 -32.14 73.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.908 0.883 . . . . 0.0 112.221 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 . . . . . 0 C--O 1.238 0.481 0 C-N-CA 125.992 1.717 . . . . 0.0 110.476 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.41 137.52 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.378 1.071 . . . . 0.0 110.389 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.08 52.99 1.63 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.323 1.449 . . . . 0.0 112.085 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.81 44.85 1.92 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.556 1.942 . . . . 0.0 111.273 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 45.8 m80 65.74 162.15 0.15 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.207 2.203 . . . . 0.0 115.303 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -138.74 99.17 3.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.338 1.455 . . . . 0.0 109.075 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -145.79 152.82 40.15 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.446 -0.784 . . . . 0.0 111.324 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -139.78 47.7 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 -171.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -55.92 -32.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.241 1.016 . . . . 0.0 113.669 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -64.66 -32.88 74.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.597 0.759 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -71.43 -38.33 71.37 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.26 0.624 . . . . 0.0 111.569 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.78 -45.79 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.345 0.658 . . . . 0.0 110.479 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.59 -38.77 92.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.606 -0.684 . . . . 0.0 112.381 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.26 99.77 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.242 -0.911 . . . . 0.0 111.863 172.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.91 -30.18 67.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.271 -0.893 . . . . 0.0 113.282 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -62.26 -39.01 91.49 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.37 0.986 . . . . 0.0 111.393 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -73.59 -46.37 47.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.366 1.066 . . . . 0.0 112.707 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.43 -40.15 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.68 -10.51 58.13 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.947 0.899 . . . . 0.0 113.188 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 126.188 1.851 . . . . 0.0 114.306 168.124 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.72 153.85 0.07 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.962 2.505 . . . . 0.0 115.815 -174.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 p -82.65 156.74 23.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.608 2.763 . . . . 0.0 111.729 -9.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -83.16 -163.42 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.849 3.26 . . . . 0.0 112.702 -1.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.12 129.76 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.369 1.467 . . . . 0.0 111.665 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.3 m -93.46 160.77 14.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.753 1.221 . . . . 0.0 112.728 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -131.95 172.65 12.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.467 1.907 . . . . 0.0 111.075 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -52.63 -37.87 59.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.18 1.392 . . . . 0.0 112.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -61.53 -39.59 91.61 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.756 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -69.43 -37.74 77.54 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.432 -0.792 . . . . 0.0 110.889 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.55 -43.38 94.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.044 0.538 . . . . 0.0 111.995 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.18 -24.96 68.12 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.216 -0.927 . . . . 0.0 113.26 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -68.2 -10.51 54.94 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 120.901 -1.124 . . . . 0.0 113.713 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.54 -2.23 57.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.442 1.097 . . . . 0.0 113.662 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.99 96.98 3.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 122.87 1.319 . . . . 0.0 112.57 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.261 1.424 . . . . 0.0 111.275 176.01 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.998 0.427 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.41 -16.34 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.913 1.285 . . . . 0.0 111.722 162.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -142.22 165.2 28.09 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.932 2.093 . . . . 0.0 110.393 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 64.04 156.1 0.07 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.07 2.148 . . . . 0.0 113.9 -166.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -63.16 136.21 57.61 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.239 1.016 . . . . 0.0 112.199 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tp -123.99 12.57 9.04 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.026 1.33 . . . . 0.0 113.256 -172.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.42 166.92 10.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.587 1.955 . . . . 0.0 112.826 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.88 83.36 0.82 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.594 1.092 . . . . 0.0 111.638 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.5 m 61.48 -25.49 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 128.347 2.659 . . . . 0.0 117.124 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -76.01 -20.07 58.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.668 1.122 . . . . 0.0 113.641 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.87 -42.08 98.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.435 -0.791 . . . . 0.0 112.58 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.24 -35.89 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.974 0.806 . . . . 0.0 111.752 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.51 -35.57 79.36 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.316 0.646 . . . . 0.0 112.035 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.12 79.58 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.486 0.714 . . . . 0.0 112.213 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.83 -30.87 71.56 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.252 -0.905 . . . . 0.0 112.284 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -65.22 -17.81 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.64 -40.83 10.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.529 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.98 -35.67 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.146 0.978 . . . . 0.0 112.978 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.14 -4.91 13.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.22 1.808 . . . . 0.0 114.172 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.351 0 C-N-CA 124.353 0.978 . . . . 0.0 113.465 -173.715 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -84.86 59.27 5.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.87 1.668 . . . . 0.0 109.829 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -27.64 65.62 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -167.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 p -64.18 149.42 47.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 131.417 3.887 . . . . 0.0 114.233 -1.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt 47.37 94.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 128.037 2.535 . . . . 0.0 114.633 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -68.48 171.39 7.51 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.76 0.79 . . . . 0.0 111.738 157.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -136.49 165.64 25.36 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.375 1.07 . . . . 0.0 112.061 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.37 -36.13 61.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 112.851 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -61.38 -30.62 70.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.698 1.199 . . . . 0.0 113.68 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -77.28 -33.02 55.87 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.16 -0.962 . . . . 0.0 111.287 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.26 -40.77 58.54 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.697 0.799 . . . . 0.0 112.972 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -14.93 62.86 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -173.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.82 -31.25 68.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 112.917 168.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -86.26 -5.34 59.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.1 -6.32 38.27 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -172.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.763 1.625 . . . . 0.0 113.678 172.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t 54.62 -54.85 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 130.284 3.434 . . . . 0.0 117.45 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.37 78.45 1.64 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.066 1.746 . . . . 0.0 111.212 -171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.77 -178.05 6.49 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.868 -1.145 . . . . 0.0 113.518 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -71.51 68.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.308 1.843 . . . . 0.0 112.935 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.46 46.94 0.78 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.77 1.628 . . . . 0.0 111.952 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -87.82 151.0 23.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.096 1.358 . . . . 0.0 112.522 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.19 -123.81 33.76 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.667 -0.646 . . . . 0.0 113.413 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.51 -27.29 66.02 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -73.03 -17.57 61.42 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.233 -0.917 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.02 -48.59 52.19 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 111.037 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.48 -38.84 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.02 0.528 . . . . 0.0 111.872 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -61.1 -37.43 82.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.065 0.546 . . . . 0.0 112.269 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.22 62.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.121 0.568 . . . . 0.0 111.905 172.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.15 -39.35 75.07 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.206 0.912 . . . . 0.0 112.646 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.235 1.014 . . . . 0.0 113.34 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -106.88 -40.83 5.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.122 1.769 . . . . 0.0 112.138 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.11 -36.6 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.625 1.57 . . . . 0.0 111.722 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -92.09 3.24 55.72 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.582 1.153 . . . . 0.0 113.951 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.67 0 C-N-CA 125.879 1.704 . . . . 0.0 116.195 178.449 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.89 -24.29 59.69 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -123.29 -8.42 8.15 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -168.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 t -143.49 156.34 44.6 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.85 1.26 . . . . 0.0 112.258 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.27 93.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.824 1.25 . . . . 0.0 109.723 -175.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.18 113.17 9.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.904 0.482 . . . . 0.0 111.348 171.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 p -69.38 164.55 22.69 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.275 1.03 . . . . 0.0 110.802 161.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.2 -31.16 70.93 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.752 -1.218 . . . . 0.0 112.243 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -57.17 -40.68 77.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.829 0.851 . . . . 0.0 112.374 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -71.04 -36.96 72.54 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.706 -0.621 . . . . 0.0 111.184 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.37 -36.25 81.69 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.794 0.437 . . . . 0.0 111.74 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.7 -32.59 74.0 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.857 -1.152 . . . . 0.0 113.31 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.58 -28.25 69.0 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.522 1.055 . . . . 0.0 113.073 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -70.25 -43.64 70.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.248 0.931 . . . . 0.0 111.378 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.88 -39.89 93.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.807 0.843 . . . . 0.0 112.82 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 126.163 1.785 . . . . 0.0 113.672 175.838 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.91 167.28 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 130.162 3.385 . . . . 0.0 111.805 -6.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 55.39 -146.64 0.56 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.587 1.555 . . . . 0.0 112.483 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -139.76 160.66 39.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.584 1.954 . . . . 0.0 110.513 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -103.03 121.91 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.027 2.931 . . . . 0.0 112.974 10.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.07 134.44 33.83 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.777 1.231 . . . . 0.0 108.264 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.3 t -147.05 -98.35 0.09 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.54 0.736 . . . . 0.0 112.09 -169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.46 -11.23 80.0 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.58 1.086 . . . . 0.0 114.918 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.37 163.04 34.02 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.116 1.767 . . . . 0.0 110.59 171.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m80 60.37 -27.92 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.093 2.957 . . . . 0.0 117.181 -177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.6 -48.21 80.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.025 1.284 . . . . 0.0 112.168 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.92 -28.94 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.24 -43.59 50.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.311 0.645 . . . . 0.0 110.998 170.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.59 -37.76 79.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.344 1.057 . . . . 0.0 113.033 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.61 -45.28 94.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.353 0.979 . . . . 0.0 111.365 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.97 -33.89 61.94 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.83 -31.76 72.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.653 0.781 . . . . 0.0 112.537 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -79.38 -45.77 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.561 1.144 . . . . 0.0 111.637 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.1 -33.73 59.49 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 C-N-CA 125.491 1.52 . . . . 0.0 112.349 -171.746 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.5 -22.66 34.22 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 p -85.7 -10.67 55.31 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.397 1.479 . . . . 0.0 114.566 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -142.86 156.68 44.97 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -168.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -84.02 65.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 167.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 m -54.16 145.63 16.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.776 1.23 . . . . 0.0 113.335 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.7 m -77.24 158.0 30.52 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.647 1.179 . . . . 0.0 111.83 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.0 -32.2 70.64 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -56.57 -31.05 63.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.383 1.073 . . . . 0.0 112.514 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -81.94 -31.34 31.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.76 -30.99 68.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.55 0.74 . . . . 0.0 112.644 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.72 -20.52 49.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -57.09 -29.39 63.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.89 1.276 . . . . 0.0 112.791 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -88.31 -1.9 58.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.492 1.517 . . . . 0.0 113.152 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.47 -32.02 5.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.555 1.542 . . . . 0.0 113.025 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.983 1.313 . . . . 0.0 112.145 179.73 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.45 118.08 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.271 1.828 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -151.37 154.96 37.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.045 3.338 . . . . 0.0 109.547 -12.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 61.14 174.3 0.11 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.585 1.554 . . . . 0.0 112.471 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -60.85 122.98 16.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.389 -1.444 . . . . 0.0 110.349 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.94 85.69 7.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 122.025 0.917 . . . . 0.0 111.811 -159.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.87 158.66 29.83 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.787 2.035 . . . . 0.0 110.896 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.01 -126.45 22.35 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.884 0.754 . . . . 0.0 114.384 168.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.4 p -62.25 -33.09 73.95 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -66.16 -40.92 90.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.567 1.076 . . . . 0.0 111.537 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.67 -39.61 88.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.37 0.668 . . . . 0.0 111.84 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.27 -47.0 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.897 0.879 . . . . 0.0 111.602 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.25 -46.65 85.57 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 111.635 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.19 93.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.06 -30.56 66.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.214 -0.929 . . . . 0.0 113.204 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.9 -34.46 77.83 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.015 1.28 . . . . 0.0 112.467 168.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.15 -39.77 68.5 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.121 0.873 . . . . 0.0 113.075 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.48 -39.44 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.004 0.922 . . . . 0.0 112.68 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.5 m -127.92 -3.41 5.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 CA-C-N 119.761 1.164 . . . . 0.0 113.454 174.87 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 121.452 0.644 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -102.79 -36.59 8.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.38 1.472 . . . . 0.0 114.036 -166.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -104.57 -40.86 5.88 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.678 1.191 . . . . 0.0 110.975 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -99.5 154.34 18.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.568 1.547 . . . . 0.0 112.27 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -99.31 125.7 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 108.993 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.5 m -97.31 121.42 39.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.929 . . . . 0.0 112.459 -170.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 m -67.05 156.28 36.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.25 1.02 . . . . 0.0 111.176 167.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.34 -26.13 67.61 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.99 -1.069 . . . . 0.0 112.897 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.71 -37.26 58.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.986 1.314 . . . . 0.0 113.185 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.73 -44.25 82.03 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.482 -0.762 . . . . 0.0 110.735 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.91 -37.92 87.33 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.796 0.438 . . . . 0.0 110.983 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.0 -36.62 84.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 170.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -67.98 -28.78 67.73 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.308 -0.87 . . . . 0.0 112.565 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -78.07 -34.72 50.13 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.897 0.771 . . . . 0.0 111.511 172.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.08 -39.62 93.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.929 1.291 . . . . 0.0 112.43 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 127.29 2.236 . . . . 0.0 113.68 176.495 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.39 -20.76 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.106 1.362 . . . . 0.0 113.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.34 -16.03 58.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -170.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.86 177.64 8.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.372 1.469 . . . . 0.0 112.546 -169.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -62.83 156.25 24.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.672 1.189 . . . . 0.0 112.306 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.24 26.39 8.49 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.548 1.139 . . . . 0.0 112.63 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -105.46 149.57 26.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.347 1.859 . . . . 0.0 113.07 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -0.36 60.02 Favored Glycine 0 CA--C 1.55 2.279 0 N-CA-C 119.297 2.479 . . . . 0.0 119.297 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -143.73 151.27 39.8 Favored 'General case' 0 N--CA 1.475 0.803 2 CA-C-N 126.442 5.121 . . . . 0.0 111.835 -5.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -124.96 -14.21 6.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.089 1.756 . . . . 0.0 113.047 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -54.08 -34.48 60.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.511 1.125 . . . . 0.0 114.029 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.37 -38.3 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.791 0.836 . . . . 0.0 112.941 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.2 -44.12 72.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.515 0.726 . . . . 0.0 110.615 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -38.47 76.76 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.093 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.97 -43.15 79.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.706 0.802 . . . . 0.0 112.522 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -63.01 -39.82 95.89 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.96 1.254 . . . . 0.0 111.902 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.5 -9.41 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.52 -40.67 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.018 1.727 . . . . 0.0 112.327 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 t -95.83 -30.26 13.77 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.447 1.499 . . . . 0.0 114.338 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 C-N-CA 124.623 1.106 . . . . 0.0 112.63 179.544 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 CA--C 1.552 1.044 0 N-CA-C 111.143 0.053 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.292 1.7 p 56.03 148.24 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 130.522 3.529 . . . . 0.0 118.824 168.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 m -66.4 143.84 56.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 130.42 3.488 . . . . 0.0 111.642 -6.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.3 p -103.58 -149.69 0.41 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 131.11 3.764 . . . . 0.0 112.463 2.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.67 118.48 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.079 1.352 . . . . 0.0 109.306 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -78.83 -46.1 19.41 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -169.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t 59.64 167.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.63 -40.2 62.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.088 1.755 . . . . 0.0 112.717 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.21 -36.14 63.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.726 1.211 . . . . 0.0 113.107 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.88 -32.1 19.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.904 0.481 . . . . 0.0 111.935 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.53 -28.15 69.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.68 -24.95 59.37 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -69.57 -22.85 63.5 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.892 -1.13 . . . . 0.0 113.571 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -75.53 -19.33 59.41 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.472 1.109 . . . . 0.0 112.712 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 m -84.2 -3.07 57.92 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.643 1.577 . . . . 0.0 112.962 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -61.74 151.07 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.103 1.361 . . . . 0.0 111.769 164.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.09 59.08 4.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.222 1.009 . . . . 0.0 112.492 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -134.64 171.3 14.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.539 1.536 . . . . 0.0 110.992 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -65.05 -17.35 64.37 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -161.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.24 43.51 26.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.782 1.633 . . . . 0.0 111.248 -165.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.7 164.83 16.73 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.716 1.606 . . . . 0.0 112.298 -169.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.72 -132.0 51.07 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.578 -0.701 . . . . 0.0 112.143 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -59.26 -26.58 65.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.74 -15.67 53.57 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.06 -52.38 65.63 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.849 0.859 . . . . 0.0 111.507 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.91 -33.83 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.3 -41.56 89.55 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.334 0.654 . . . . 0.0 111.928 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.86 79.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.17 0.588 . . . . 0.0 112.325 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.83 -30.44 69.84 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.746 -1.221 . . . . 0.0 113.556 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.04 -11.87 44.09 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 168.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.49 -42.35 6.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.633 1.173 . . . . 0.0 112.397 170.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.43 -44.63 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.86 0.864 . . . . 0.0 112.281 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.4 m -96.73 -33.36 11.74 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.799 0.84 . . . . 0.0 112.814 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.642 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -174.837 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.544 0.734 0 CA-C-O 121.201 0.524 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -98.12 -40.07 8.59 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.357 1.063 . . . . 0.0 113.459 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -101.58 -28.27 12.62 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.164 1.386 . . . . 0.0 112.145 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 p -95.45 151.66 19.09 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.328 1.851 . . . . 0.0 112.765 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.25 133.64 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.359 1.464 . . . . 0.0 108.87 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.93 109.88 14.12 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.759 0.824 . . . . 0.0 112.605 -167.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 m -65.27 163.35 15.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.101 0.96 . . . . 0.0 110.887 163.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.54 -33.54 70.01 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 112.831 -177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.91 -36.22 69.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.192 0.997 . . . . 0.0 113.181 171.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -78.22 -39.87 39.14 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.841 0.856 . . . . 0.0 111.125 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.02 -32.55 73.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.865 0.866 . . . . 0.0 112.629 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.87 -17.28 49.44 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.35 -32.38 73.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.819 -1.176 . . . . 0.0 112.257 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -77.22 -3.79 41.44 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.437 1.095 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -78.63 -14.67 59.2 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.223 -0.923 . . . . 0.0 112.246 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 126.777 2.031 . . . . 0.0 113.628 -178.264 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.71 -26.71 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.375 1.47 . . . . 0.0 114.298 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -114.95 15.24 17.3 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.167 1.387 . . . . 0.0 113.56 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -142.99 169.26 17.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.016 1.327 . . . . 0.0 112.694 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -66.69 150.26 49.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.223 1.009 . . . . 0.0 111.246 170.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.06 8.1 11.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -48.39 134.93 14.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.988 1.315 . . . . 0.0 114.549 -168.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.46 -137.3 21.59 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.832 0.73 . . . . 0.0 113.13 -173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -60.52 -33.06 72.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -62.01 -30.13 70.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.99 -48.58 57.64 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.814 0.846 . . . . 0.0 111.78 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 119.176 0.898 . . . . 0.0 111.282 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.6 -38.24 86.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.597 0.635 . . . . 0.0 112.675 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.91 75.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.526 0.603 . . . . 0.0 111.783 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.78 -28.36 65.68 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.919 -1.113 . . . . 0.0 113.559 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -64.31 -11.14 29.12 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 167.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -106.73 -42.08 5.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.432 1.493 . . . . 0.0 112.291 172.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.89 -39.4 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.974 1.31 . . . . 0.0 112.199 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -98.43 -12.18 21.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.637 1.175 . . . . 0.0 113.344 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.346 0 C-N-CA 124.305 0.955 . . . . 0.0 113.38 -175.763 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -167.5 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.761 2.424 . . . . 0.0 110.349 162.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -72.43 -28.69 63.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.451 1.1 . . . . 0.0 112.661 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -128.08 163.23 25.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.83 2.052 . . . . 0.0 111.75 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.15 135.62 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.737 1.215 . . . . 0.0 108.918 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 m -110.02 149.24 30.27 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.8 p -82.75 22.44 0.9 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -167.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 62.92 -42.37 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 115.155 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -52.6 -34.85 52.69 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.479 1.512 . . . . 0.0 112.665 168.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -69.9 -27.84 65.12 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.429 -0.794 . . . . 0.0 112.711 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.84 -44.3 64.08 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 169.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.2 -35.9 67.81 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.411 -0.806 . . . . 0.0 112.743 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.19 -21.1 61.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.61 -16.24 62.28 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.7 m -120.81 -19.76 7.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.603 1.561 . . . . 0.0 114.692 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.156 1.382 . . . . 0.0 112.087 -163.447 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 120.637 0.256 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.71 -21.95 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.472 1.509 . . . . 0.0 113.778 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -133.83 13.43 4.01 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.643 1.577 . . . . 0.0 112.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -151.11 157.88 43.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.429 1.891 . . . . 0.0 110.401 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -63.18 153.95 32.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.884 1.274 . . . . 0.0 113.556 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -124.51 144.34 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.946 1.698 . . . . 0.0 108.604 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.79 142.65 30.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.461 1.028 . . . . 0.0 111.023 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.91 -120.67 9.44 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.541 1.067 . . . . 0.0 113.809 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -51.82 -40.82 61.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.229 1.412 . . . . 0.0 113.333 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -67.73 -32.9 73.84 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.454 -0.779 . . . . 0.0 112.661 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -72.56 -41.52 65.66 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.839 -0.538 . . . . 0.0 111.9 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.04 -33.97 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.047 -1.033 . . . . 0.0 111.97 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.87 -30.7 71.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.44 -0.788 . . . . 0.0 112.506 168.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.08 75.88 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.392 -0.818 . . . . 0.0 112.209 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.27 -31.4 72.53 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.905 -1.122 . . . . 0.0 112.893 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.35 -14.95 21.32 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.23 -45.33 4.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.311 1.444 . . . . 0.0 112.622 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.08 -44.57 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 112.127 -173.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.46 -23.49 13.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.044 1.338 . . . . 0.0 112.847 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 C-N-CA 125.925 1.726 . . . . 0.0 117.063 -171.136 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 CA--C 1.547 0.862 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 m -103.45 144.71 31.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.882 2.073 . . . . 0.0 109.546 167.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m 64.22 -35.65 0.17 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 127.196 2.198 . . . . 0.0 115.468 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -119.62 152.73 36.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.576 1.95 . . . . 0.0 111.12 170.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.22 128.36 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.585 1.154 . . . . 0.0 109.742 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.1 m -77.67 150.36 34.54 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.266 1.026 . . . . 0.0 113.054 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -89.1 168.93 11.93 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.828 1.251 . . . . 0.0 112.661 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.0 tp -55.08 -41.35 71.43 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.997 0.919 . . . . 0.0 112.055 170.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.13 -36.6 82.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.299 1.04 . . . . 0.0 112.485 176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.36 -41.61 84.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.121 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.19 -32.47 73.93 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.21 -19.38 65.3 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.77 -16.72 60.08 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.896 -1.128 . . . . 0.0 113.453 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -79.79 -15.31 57.7 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.517 1.127 . . . . 0.0 113.507 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.83 8.03 7.59 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -155.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.465 1.506 . . . . 0.0 112.472 168.711 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.74 136.94 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.341 -0.849 . . . . 0.0 113.192 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -69.31 163.95 23.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.798 2.039 . . . . 0.0 112.181 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.74 -179.63 1.86 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.645 3.578 . . . . 0.0 113.462 -0.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -45.84 131.5 9.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.551 1.54 . . . . 0.0 112.078 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.46 -14.01 57.54 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -165.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -22.74 -45.73 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.904 3.681 . . . . 0.0 118.557 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.43 -140.72 3.07 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.991 1.281 . . . . 0.0 114.115 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -66.29 -19.89 65.95 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.362 -1.081 . . . . 0.0 113.648 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -55.13 -36.38 65.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.533 1.533 . . . . 0.0 111.882 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.16 -56.3 17.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.123 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.81 -31.9 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.034 0.833 . . . . 0.0 112.308 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.65 -42.8 98.06 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.21 0.604 . . . . 0.0 111.916 168.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.76 76.0 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.733 0.813 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -57.94 -43.06 86.09 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.703 1.138 . . . . 0.0 111.513 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.59 -19.23 65.83 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.98 -14.24 45.19 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 112.993 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -107.75 -34.06 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.732 1.613 . . . . 0.0 112.364 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -140.74 147.28 38.92 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.701 1.6 . . . . 0.0 112.427 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.573 0 C-N-CA 127.282 2.372 . . . . 0.0 111.459 173.799 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.34 147.12 23.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.087 1.755 . . . . 0.0 111.836 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p 60.45 -47.08 0.1 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 129.097 2.959 . . . . 0.0 116.202 -178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 p -96.74 151.89 19.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.534 1.534 . . . . 0.0 111.858 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.6 mt -96.64 133.59 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 -171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.42 118.6 31.52 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.166 0.987 . . . . 0.0 111.689 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -79.24 165.5 23.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.258 1.023 . . . . 0.0 110.761 163.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.35 -31.31 67.47 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.222 -0.924 . . . . 0.0 112.812 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -55.33 -35.28 64.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.666 1.186 . . . . 0.0 113.46 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -74.45 -33.41 62.91 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.202 -0.936 . . . . 0.0 111.41 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.03 -38.1 75.77 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.292 0.637 . . . . 0.0 111.042 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.07 -30.59 71.65 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.092 -1.005 . . . . 0.0 112.633 169.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -66.96 -29.56 69.45 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.114 -0.992 . . . . 0.0 112.622 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -77.58 -29.46 52.09 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.171 0.896 . . . . 0.0 112.424 168.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.95 -34.68 73.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.414 1.085 . . . . 0.0 113.077 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.028 1.331 . . . . 0.0 112.128 178.732 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.06 -47.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 128.632 2.773 . . . . 0.0 116.124 168.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.64 -0.79 10.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.729 2.012 . . . . 0.0 113.331 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -138.25 139.77 39.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.608 1.563 . . . . 0.0 111.224 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -64.36 154.34 35.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.043 1.337 . . . . 0.0 112.802 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -129.29 24.8 5.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.273 1.429 . . . . 0.0 112.848 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.85 149.75 47.55 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.702 -1.249 . . . . 0.0 114.209 -172.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.61 -138.64 21.93 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.824 1.202 . . . . 0.0 112.375 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -60.06 -25.8 65.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -59.14 -21.65 59.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.004 0.922 . . . . 0.0 113.143 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.25 -44.9 43.45 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.345 0.975 . . . . 0.0 112.203 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.51 -37.42 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 118.898 0.772 . . . . 0.0 111.155 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.22 -29.58 70.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 -42.16 37.06 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 112.273 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.72 -24.75 67.05 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.338 -0.851 . . . . 0.0 112.806 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.26 -33.57 53.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.594 1.088 . . . . 0.0 112.727 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.67 -21.23 24.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.211 1.404 . . . . 0.0 113.096 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.34 -31.03 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.205 1.402 . . . . 0.0 112.861 -168.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -141.74 -32.26 0.53 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -173.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.243 0 C-N-CA 124.246 0.927 . . . . 0.0 112.416 -175.101 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.11 -36.74 3.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.642 3.577 . . . . 0.0 112.128 -7.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -81.69 -12.89 58.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.193 1.397 . . . . 0.0 114.064 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -107.42 -178.46 3.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.93 1.692 . . . . 0.0 111.425 169.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -91.19 -17.26 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.998 0.919 . . . . 0.0 112.024 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.5 m 61.25 146.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.398 2.679 . . . . 0.0 116.477 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -81.5 155.71 25.65 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.738 1.215 . . . . 0.0 110.629 164.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.68 -31.74 69.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.662 0.785 . . . . 0.0 112.923 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -55.14 -37.17 66.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.32 1.048 . . . . 0.0 113.128 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.61 -33.76 76.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.535 -0.728 . . . . 0.0 111.395 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.61 -37.36 62.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.426 1.09 . . . . 0.0 110.8 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.35 -28.03 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.98 -1.075 . . . . 0.0 113.053 172.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -63.9 -29.15 70.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.771 1.169 . . . . 0.0 112.589 170.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.79 -31.06 35.88 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.967 0.907 . . . . 0.0 112.333 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.03 -35.79 77.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.557 1.143 . . . . 0.0 112.606 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 124.71 1.204 . . . . 0.0 112.407 179.516 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 1.4 p 55.34 -19.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 130.514 3.525 . . . . 0.0 118.758 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.98 -10.19 4.33 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.816 1.646 . . . . 0.0 114.347 -174.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -140.66 136.97 33.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.56 1.544 . . . . 0.0 109.522 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -64.02 142.24 58.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.226 1.41 . . . . 0.0 111.724 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.85 -18.53 34.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -73.13 -20.24 60.97 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -163.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -65.21 3.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.258 0.932 . . . . 0.0 113.613 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -151.02 13.71 0.7 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.787 1.235 . . . . 0.0 113.036 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -113.65 -22.6 10.17 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -156.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.2 -36.63 68.62 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.412 1.485 . . . . 0.0 112.946 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 m -68.01 -38.03 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.255 0.622 . . . . 0.0 112.4 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.6 -39.6 64.47 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 111.103 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.62 94.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.128 0.571 . . . . 0.0 111.591 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.61 -33.83 73.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.291 -0.861 . . . . 0.0 113.197 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -61.36 -39.11 89.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.133 1.333 . . . . 0.0 112.448 168.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.92 -30.91 58.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -88.23 -38.84 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.918 1.287 . . . . 0.0 112.383 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.6 t -85.79 -27.26 25.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.973 . . . . 0.0 113.247 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.721 0 O-C-N 121.201 -0.937 . . . . 0.0 112.352 169.211 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 121.052 0.453 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.38 -33.49 19.12 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.779 1.232 . . . . 0.0 113.61 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -86.99 -41.04 14.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.942 0.897 . . . . 0.0 111.707 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -123.24 150.87 42.91 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.947 1.299 . . . . 0.0 112.199 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.29 137.37 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.633 1.173 . . . . 0.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.74 93.44 4.32 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 122.173 0.987 . . . . 0.0 109.794 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -78.95 37.22 0.3 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.9 2.48 . . . . 0.0 114.569 -171.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt 64.13 -50.56 0.28 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.218 2.607 . . . . 0.0 113.534 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -50.72 -36.23 35.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.448 1.899 . . . . 0.0 113.438 172.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -65.57 -26.76 68.01 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.97 0.908 . . . . 0.0 113.012 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.1 mt -77.82 -27.15 49.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.492 1.117 . . . . 0.0 113.126 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.3 -23.13 55.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.54 1.136 . . . . 0.0 113.472 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -57.84 -25.84 61.23 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.668 1.187 . . . . 0.0 112.994 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.5 12.72 35.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 114.299 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.76 1.73 29.13 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.465 1.106 . . . . 0.0 113.981 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 111.061 179.248 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t 48.44 32.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 126.944 2.098 . . . . 0.0 113.888 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 49.21 47.65 21.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.102 1.761 . . . . 0.0 113.459 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.85 161.23 14.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.996 1.319 . . . . 0.0 113.908 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -77.54 95.87 4.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.584 1.154 . . . . 0.0 109.504 159.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.17 85.37 2.39 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.894 0.854 . . . . 0.0 110.363 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.72 131.54 41.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.518 1.527 . . . . 0.0 111.227 -164.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.25 -27.94 0.56 Allowed Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.708 1.623 . . . . 0.0 115.445 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -152.68 -179.49 7.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.069 2.148 . . . . 0.0 110.787 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t60 64.56 -32.63 0.14 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 128.534 2.734 . . . . 0.0 116.745 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -43.98 81.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.472 1.487 . . . . 0.0 113.738 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -36.0 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.754 -0.591 . . . . 0.0 112.113 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.694 0.798 . . . . 0.0 111.214 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.39 98.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.099 0.56 . . . . 0.0 111.742 172.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.59 -33.58 74.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.026 -1.046 . . . . 0.0 113.516 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.46 -33.26 75.18 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.796 1.18 . . . . 0.0 112.649 169.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -81.87 -35.02 29.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.428 1.091 . . . . 0.0 113.283 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.89 -36.57 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.075 1.35 . . . . 0.0 112.09 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -124.34 50.65 1.66 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.768 1.627 . . . . 0.0 112.836 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 O-C-N 118.071 -2.893 . . . . 0.0 112.28 9.336 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.9 p -80.91 8.96 7.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.14 2.576 . . . . 0.0 114.635 -0.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -57.84 -29.38 64.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.67 1.588 . . . . 0.0 113.899 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -128.63 166.69 18.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.965 1.706 . . . . 0.0 110.675 166.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -80.51 78.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 108.532 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -68.75 153.55 43.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -168.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.5 p -92.77 166.89 12.22 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.342 1.457 . . . . 0.0 112.453 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.4 mt -58.56 -33.25 69.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.72 0.808 . . . . 0.0 112.378 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -62.46 -37.37 85.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.823 1.249 . . . . 0.0 112.572 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.81 -38.61 70.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.592 -0.692 . . . . 0.0 111.448 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.08 -26.89 67.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.23 -23.3 63.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.6 1.091 . . . . 0.0 113.895 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -64.93 -22.18 66.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.297 -0.877 . . . . 0.0 113.192 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -81.73 -18.46 44.23 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.303 1.041 . . . . 0.0 113.064 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.8 m -81.11 -19.36 43.77 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -167.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 124.111 0.964 . . . . 0.0 111.824 -179.536 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.58 151.0 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.432 1.493 . . . . 0.0 110.794 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.25 42.33 0.81 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.848 1.259 . . . . 0.0 113.319 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.82 164.86 32.33 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.22 1.408 . . . . 0.0 112.225 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -55.26 129.45 38.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.344 1.058 . . . . 0.0 110.507 169.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.76 13.89 1.95 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -152.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.06 166.7 22.95 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.934 -1.104 . . . . 0.0 112.006 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 40.16 8.07 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.665 -0.647 . . . . 0.0 112.532 -165.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m 64.32 -1.98 0.67 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.701 2.4 . . . . 0.0 117.087 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.47 -35.99 79.18 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.181 1.355 . . . . 0.0 112.393 175.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.43 -37.18 86.61 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.432 1.093 . . . . 0.0 112.052 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -69.46 -47.96 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.455 0.702 . . . . 0.0 110.258 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.94 -37.22 83.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.543 0.737 . . . . 0.0 112.282 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -51.81 59.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.991 0.916 . . . . 0.0 111.658 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.14 -35.06 79.03 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.227 -0.921 . . . . 0.0 112.813 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.58 -20.51 64.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.29 -35.14 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.084 1.353 . . . . 0.0 113.068 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.7 -40.65 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.077 1.351 . . . . 0.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -88.51 -44.75 10.46 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.161 0.584 . . . . 0.0 112.2 175.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 C-N-CA 123.565 0.603 . . . . 0.0 112.625 175.55 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 CA--C 1.55 0.97 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -121.2 -11.78 8.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.908 1.283 . . . . 0.0 114.43 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -70.18 -33.65 72.0 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.265 -0.897 . . . . 0.0 111.033 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -153.31 164.4 38.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.863 2.065 . . . . 0.0 110.919 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -81.19 103.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -81.37 149.42 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -172.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -76.46 154.08 35.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.751 1.22 . . . . 0.0 111.987 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.69 -27.03 68.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.431 -0.793 . . . . 0.0 112.175 173.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.85 -36.13 82.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.438 -0.789 . . . . 0.0 112.39 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.27 -35.88 74.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.386 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.3 mt -64.83 -39.45 93.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.09 -20.51 62.69 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.755 -1.216 . . . . 0.0 113.557 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.23 -6.24 58.64 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.3 -39.97 64.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.857 1.208 . . . . 0.0 111.281 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -87.66 78.99 8.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 123.67 1.7 . . . . 0.0 111.958 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.92 -178.596 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -143.79 139.29 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.285 1.434 . . . . 0.0 110.873 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 53.97 26.83 6.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.795 1.638 . . . . 0.0 114.638 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -145.24 156.94 44.14 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.106 1.362 . . . . 0.0 112.662 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -69.15 152.92 44.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.431 1.092 . . . . 0.0 110.823 164.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -120.14 -5.56 9.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 -162.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 p -61.63 140.11 58.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.377 1.444 . . . . 0.0 113.022 -169.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.37 -145.06 18.81 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.746 0.688 . . . . 0.0 111.843 -160.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -63.42 -31.36 72.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -64.14 -35.7 81.64 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.153 0.888 . . . . 0.0 113.106 -174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.84 -39.88 79.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.422 1.089 . . . . 0.0 110.89 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -67.95 -45.11 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.65 0.78 . . . . 0.0 110.701 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.74 -40.72 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.609 -0.682 . . . . 0.0 112.079 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.43 80.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.961 0.504 . . . . 0.0 111.52 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.07 -30.65 69.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.075 -1.016 . . . . 0.0 113.287 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -66.21 -11.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.87 -32.53 6.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.926 1.29 . . . . 0.0 113.169 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -82.89 -40.6 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.103 1.361 . . . . 0.0 111.966 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.8 m -110.31 -6.42 15.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 113.797 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.072 1.32 . . . . 0.0 114.372 179.098 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 122.49 1.138 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -136.22 -36.14 0.74 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.373 1.869 . . . . 0.0 111.903 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -69.26 -28.9 66.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.723 1.209 . . . . 0.0 111.951 174.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.82 170.03 19.72 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.162 1.785 . . . . 0.0 111.076 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -89.69 130.2 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.526 1.53 . . . . 0.0 109.34 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.6 m -97.29 137.21 36.65 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -75.0 158.51 33.12 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.504 1.121 . . . . 0.0 111.278 165.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.3 mm? -61.02 -34.69 75.23 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.211 -0.931 . . . . 0.0 112.112 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.27 -37.82 78.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.787 0.835 . . . . 0.0 112.407 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.02 -40.3 71.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.211 0.605 . . . . 0.0 110.529 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.02 -34.2 77.85 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.04 -33.09 74.78 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.03 -1.044 . . . . 0.0 113.045 171.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.36 -25.58 67.64 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.19 -31.75 72.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.331 1.052 . . . . 0.0 112.97 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 t -94.2 -34.89 12.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.532 1.133 . . . . 0.0 112.967 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 124.808 1.243 . . . . 0.0 112.131 -178.88 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 p90 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -85.66 -21.68 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.733 1.213 . . . . 0.0 112.454 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -125.33 9.57 7.91 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.239 1.815 . . . . 0.0 113.862 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -148.23 160.58 42.8 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.393 1.477 . . . . 0.0 112.036 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -72.68 155.13 40.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.358 1.063 . . . . 0.0 110.762 166.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.6 -62.05 1.48 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.969 0.908 . . . . 0.0 110.556 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.0 m 62.26 -129.31 0.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.31 1.844 . . . . 0.0 113.637 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.83 -6.48 67.45 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.099 1.333 . . . . 0.0 115.396 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -125.43 179.52 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.321 1.848 . . . . 0.0 109.754 168.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.0 m80 62.34 -34.16 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.726 2.41 . . . . 0.0 117.484 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.29 -55.2 37.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.465 1.506 . . . . 0.0 113.477 -162.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -39.6 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 122.012 -0.43 . . . . 0.0 111.248 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.63 -49.62 62.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.335 0.654 . . . . 0.0 111.7 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -42.76 93.14 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.319 1.048 . . . . 0.0 111.967 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.12 -38.1 87.37 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.719 -0.613 . . . . 0.0 111.894 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -72.53 -36.47 68.32 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.0 -42.52 94.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 112.23 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.14 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.83 0.852 . . . . 0.0 111.622 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.64 0.85 18.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 170.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 C-N-CA 126.553 2.025 . . . . 0.0 114.585 178.589 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.2 -25.19 1.37 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -163.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -73.63 -39.45 64.52 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.191 -0.943 . . . . 0.0 111.212 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.6 m -130.42 156.21 45.13 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.373 1.869 . . . . 0.0 110.515 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 10' ' ' ILE . 2.4 mp -75.33 118.76 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.05 129.32 39.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.241 0.543 . . . . 0.0 111.959 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -68.02 157.21 35.65 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.998 0.919 . . . . 0.0 110.844 165.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.84 -30.37 67.62 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.145 -0.972 . . . . 0.0 112.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -59.83 -35.58 75.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.073 0.949 . . . . 0.0 112.786 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -77.55 -34.31 53.86 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.397 -0.814 . . . . 0.0 110.963 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.53 -42.92 91.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.489 0.316 . . . . 0.0 111.008 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.8 -34.23 71.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.453 1.101 . . . . 0.0 112.419 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.06 -24.01 65.93 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.338 -0.851 . . . . 0.0 112.955 173.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -80.91 -33.26 34.3 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.563 1.074 . . . . 0.0 112.178 168.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.7 m -74.89 -20.76 59.58 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.346 1.858 . . . . 0.0 110.651 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.27 129.46 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.431 -0.793 . . . . 0.0 112.915 -166.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -141.23 111.32 6.69 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.418 1.487 . . . . 0.0 109.382 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.51 145.7 54.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.151 2.58 . . . . 0.0 112.491 -1.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -149.5 19.46 0.93 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.226 3.01 . . . . 0.0 113.703 -0.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt 46.77 -133.1 1.11 Allowed 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.251 -0.905 . . . . 0.0 110.48 -149.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t 55.12 -177.12 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.872 1.669 . . . . 0.0 113.451 -168.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.71 -138.85 43.65 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.736 1.16 . . . . 0.0 113.207 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -68.32 -30.95 70.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.536 0.734 . . . . 0.0 112.841 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -70.72 -29.7 66.03 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.934 -1.103 . . . . 0.0 113.169 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.42 -45.42 91.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.612 0.642 . . . . 0.0 112.338 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.63 -36.48 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.777 -0.577 . . . . 0.0 111.456 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.81 -31.09 72.15 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.07 -48.11 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.108 0.867 . . . . 0.0 111.601 168.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.82 -29.88 71.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.269 -0.894 . . . . 0.0 113.006 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -56.01 -27.75 54.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.485 1.114 . . . . 0.0 113.11 172.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.28 -46.32 5.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.811 1.244 . . . . 0.0 111.928 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.47 -38.7 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.859 0.863 . . . . 0.0 111.7 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.15 6.45 11.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 O-C-N 121.118 -0.989 . . . . 0.0 113.924 169.259 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.19 -26.23 39.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.723 1.209 . . . . 0.0 112.96 175.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -121.08 -38.54 2.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.201 1.4 . . . . 0.0 112.846 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 m -94.4 154.79 17.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -95.53 110.28 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 114.61 15.97 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.806 0.843 . . . . 0.0 112.128 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -66.89 161.74 23.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 111.03 165.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -40.86 76.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.518 1.127 . . . . 0.0 111.193 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.76 -36.8 74.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.64 1.176 . . . . 0.0 113.121 172.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -75.08 -32.92 61.6 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.067 -1.021 . . . . 0.0 112.049 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.82 -37.31 87.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.072 0.396 . . . . 0.0 111.636 170.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.29 -30.19 71.38 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.027 -1.046 . . . . 0.0 112.543 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.6 -8.42 47.26 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -74.19 -19.38 60.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.349 0.977 . . . . 0.0 112.618 165.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.2 m -119.05 -21.59 7.6 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.122 1.769 . . . . 0.0 112.939 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.331 2.253 . . . . 0.0 112.712 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.67 -26.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.136 1.374 . . . . 0.0 113.663 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -82.0 -21.25 37.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.488 1.115 . . . . 0.0 113.766 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -139.1 169.11 18.39 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.762 1.625 . . . . 0.0 111.334 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -61.59 143.21 56.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.26 121.36 40.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.68 1.592 . . . . 0.0 108.518 173.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -156.26 136.45 12.91 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.45 -39.08 0.72 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.375 1.941 . . . . 0.0 114.889 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -135.27 167.65 20.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.81 2.444 . . . . 0.0 110.699 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 63.42 -28.87 0.09 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.264 2.626 . . . . 0.0 117.676 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.3 tp -56.15 -47.48 78.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.269 1.395 . . . . 0.0 112.228 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.45 -36.47 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 123.276 0.63 . . . . 0.0 112.269 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.91 -44.91 68.71 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 111.082 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.74 89.56 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.578 0.751 . . . . 0.0 111.53 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -66.61 -41.77 87.89 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.58 -30.09 70.3 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.36 0.982 . . . . 0.0 113.174 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.76 -36.14 50.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.825 0.85 . . . . 0.0 112.849 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.66 -46.6 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.855 1.262 . . . . 0.0 111.208 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -91.67 53.61 2.28 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.885 1.274 . . . . 0.0 111.229 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.352 0 C-N-CA 124.784 1.183 . . . . 0.0 115.274 -170.685 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.553 1.065 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.56 -24.83 61.17 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.808 -1.183 . . . . 0.0 112.861 169.016 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -126.6 -35.21 2.36 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.248 1.419 . . . . 0.0 113.366 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -90.98 176.12 6.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.24 1.416 . . . . 0.0 110.828 162.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -117.87 138.41 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.602 1.161 . . . . 0.0 110.251 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -132.21 166.63 21.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.927 1.691 . . . . 0.0 112.326 -172.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -137.87 178.8 6.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.002 1.321 . . . . 0.0 111.669 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.86 -42.98 38.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.124 1.77 . . . . 0.0 112.925 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -57.87 -34.89 70.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.332 1.053 . . . . 0.0 113.413 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -80.02 -41.22 26.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.66 0.784 . . . . 0.0 111.125 176.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -26.8 67.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -58.12 -29.07 65.23 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.245 -0.91 . . . . 0.0 113.187 170.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -16.0 62.8 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.868 1.213 . . . . 0.0 113.552 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.04 -13.91 59.89 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.924 1.29 . . . . 0.0 113.414 175.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.96 -40.94 0.22 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -170.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 111.655 179.734 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.278 5.6 p 53.61 -44.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 1 C-N-CA 132.437 4.295 . . . . 0.0 118.471 168.472 . . . . . . . . 3 2 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -122.42 -7.71 8.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.88 2.072 . . . . 0.0 112.714 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -133.83 150.14 51.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.987 1.315 . . . . 0.0 113.131 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -66.75 157.14 33.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.669 1.987 . . . . 0.0 113.24 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -137.07 121.96 18.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.648 1.579 . . . . 0.0 109.919 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -142.78 149.64 38.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.552 1.141 . . . . 0.0 111.403 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.46 -132.44 42.98 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 123.836 0.731 . . . . 0.0 113.673 175.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.04 -33.81 67.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.239 1.016 . . . . 0.0 113.563 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -69.03 -34.31 75.02 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.408 -0.807 . . . . 0.0 112.11 177.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -38.06 73.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.121 0.568 . . . . 0.0 111.56 171.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.64 -44.85 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.096 0.862 . . . . 0.0 111.174 174.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.98 -42.72 97.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.501 -0.75 . . . . 0.0 112.189 174.729 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.62 90.55 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.52 -0.738 . . . . 0.0 112.587 175.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.83 -38.33 86.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.024 0.93 . . . . 0.0 111.963 174.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -70.14 -26.04 63.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.41 -34.47 76.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.489 1.116 . . . . 0.0 112.933 169.011 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.4 t -92.4 -46.04 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.743 -174.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.66 96.73 6.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.93 1.292 . . . . 0.0 109.457 174.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.399 0 C-N-CA 123.903 0.764 . . . . 0.0 114.208 -177.023 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.4 142.23 34.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.114 1.324 . . . . 0.0 111.157 168.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p 54.15 17.91 1.6 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.027 1.731 . . . . 0.0 114.703 -170.475 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -153.29 151.94 30.58 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.642 1.977 . . . . 0.0 111.065 -171.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.1 mt -76.06 133.89 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.553 0.741 . . . . 0.0 110.901 -173.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -134.64 140.3 45.95 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.239 1.016 . . . . 0.0 113.121 171.124 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.66 158.64 32.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.932 1.293 . . . . 0.0 111.197 162.482 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.85 -21.26 65.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.162 -0.961 . . . . 0.0 113.477 171.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.57 -30.18 70.5 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 112.232 167.489 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.02 -33.18 17.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.187 0.995 . . . . 0.0 111.292 -178.341 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.25 -21.98 60.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 173.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.9 -22.37 25.31 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 169.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -64.5 -24.63 67.68 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.14 1.336 . . . . 0.0 113.138 175.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -75.67 -13.66 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 112.796 171.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.8 -48.37 2.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.816 1.246 . . . . 0.0 113.422 -166.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.512 1.125 . . . . 0.0 111.788 -169.761 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.43 -13.48 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.654 1.582 . . . . 0.0 113.476 -168.286 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -137.77 20.26 2.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.95 1.7 . . . . 0.0 113.528 -171.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -139.18 170.15 16.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.408 1.483 . . . . 0.0 112.341 -177.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -77.9 -11.19 59.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.03 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 59.39 -34.9 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 130.732 3.613 . . . . 0.0 118.852 171.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -80.64 138.4 36.41 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.896 -1.752 . . . . 0.0 113.416 -159.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.45 -31.57 8.81 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 128.07 2.748 . . . . 0.0 114.807 -7.371 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.51 -50.49 58.56 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.178 0.989 . . . . 0.0 113.015 -167.225 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -68.06 -29.09 67.97 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.576 -0.702 . . . . 0.0 112.356 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.34 -47.61 78.7 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.658 1.183 . . . . 0.0 110.704 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.58 -44.3 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.577 0.751 . . . . 0.0 111.293 176.27 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.34 -39.92 95.87 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.469 -0.769 . . . . 0.0 112.835 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.46 85.81 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.646 -0.659 . . . . 0.0 111.801 174.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.73 -23.72 62.49 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -74.02 -3.62 30.39 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 167.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -116.63 -39.72 3.28 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.159 1.384 . . . . 0.0 112.86 176.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.58 -30.37 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.233 1.413 . . . . 0.0 111.272 173.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -128.83 -165.88 1.56 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.55 1.94 . . . . 0.0 109.536 169.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 C-N-CA 125.622 1.582 . . . . 0.0 113.496 -178.605 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.8 137.61 54.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.349 1.46 . . . . 0.0 110.265 -173.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.264 14.3 p 55.51 -34.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 128.653 2.781 . . . . 0.0 115.974 -161.286 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -90.69 152.76 20.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.829 1.652 . . . . 0.0 111.615 160.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.82 146.86 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.465 1.506 . . . . 0.0 112.192 -168.529 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.76 166.47 22.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.092 1.357 . . . . 0.0 113.256 178.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -141.12 172.26 12.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.722 2.009 . . . . 0.0 110.475 171.756 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.67 -29.6 62.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 176.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.12 -28.36 70.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.069 0.948 . . . . 0.0 113.091 171.136 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.66 -47.17 27.48 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.607 -0.683 . . . . 0.0 109.879 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.97 -44.05 94.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.672 0.389 . . . . 0.0 111.535 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.79 -23.98 66.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.131 -0.981 . . . . 0.0 113.618 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -82.02 -28.0 32.77 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.031 1.332 . . . . 0.0 112.451 174.128 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -72.76 -30.16 63.91 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.28 -0.887 . . . . 0.0 112.068 174.355 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.1 m -66.91 -39.15 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.669 0.788 . . . . 0.0 112.828 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.026 1.33 . . . . 0.0 110.873 174.575 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.85 129.43 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.464 1.506 . . . . 0.0 111.435 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.02 38.43 12.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.91 2.084 . . . . 0.0 113.876 178.6 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 169.25 21.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 113.211 -175.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -72.73 143.66 47.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.806 169.015 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 tp -144.99 62.53 1.3 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.177 1.391 . . . . 0.0 110.442 -174.031 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.11 163.82 27.58 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.255 1.022 . . . . 0.0 112.587 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.74 -155.96 49.66 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.451 1.024 . . . . 0.0 115.448 167.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -60.99 -23.5 65.43 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.764 1.226 . . . . 0.0 114.135 -175.279 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -59.94 -27.22 66.6 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.085 0.954 . . . . 0.0 112.618 174.149 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.41 -51.13 62.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.07 0.948 . . . . 0.0 112.07 177.165 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -72.17 -32.43 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.057 0.543 . . . . 0.0 112.388 -177.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -63.73 -45.75 88.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.02 0.528 . . . . 0.0 111.353 170.446 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.88 82.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 112.511 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.84 -44.91 96.32 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.405 -0.809 . . . . 0.0 111.74 174.493 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.54 -36.53 84.5 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 172.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.35 -35.05 73.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.167 0.894 . . . . 0.0 113.403 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -74.26 -47.25 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.472 1.109 . . . . 0.0 111.448 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.51 -27.69 20.14 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -168.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 C-N-CA 124.552 1.072 . . . . 0.0 114.287 168.379 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.7 -38.74 6.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.161 1.785 . . . . 0.0 111.956 167.439 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -82.56 -28.99 30.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.376 1.07 . . . . 0.0 112.812 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -133.3 -178.56 5.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.731 2.012 . . . . 0.0 110.725 173.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mt -111.74 129.28 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.202 1.401 . . . . 0.0 109.762 -170.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.02 138.02 45.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.216 1.006 . . . . 0.0 113.639 -170.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -89.8 162.99 15.24 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.961 1.704 . . . . 0.0 112.235 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.8 -36.39 74.4 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.046 0.938 . . . . 0.0 113.458 -172.263 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.7 -37.63 76.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.491 1.116 . . . . 0.0 112.728 175.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.3 -31.69 71.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 111.078 178.012 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.2 -43.06 65.06 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.119 0.568 . . . . 0.0 111.273 175.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.89 -31.58 66.89 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.275 -0.891 . . . . 0.0 112.896 173.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.16 -20.82 65.8 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 177.105 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -85.24 -25.44 27.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.277 0.944 . . . . 0.0 112.851 170.057 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -80.25 -30.18 38.43 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.495 1.118 . . . . 0.0 112.913 175.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.25 1.42 . . . . 0.0 112.464 178.075 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.284 12.2 m 52.33 -7.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 130.223 3.409 . . . . 0.0 118.766 172.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -157.03 135.02 11.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.455 1.902 . . . . 0.0 109.759 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -78.96 -152.57 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.57 2.748 . . . . 0.0 110.838 -8.42 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -51.33 146.82 6.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.554 1.942 . . . . 0.0 112.434 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.9 mt -88.53 12.22 15.07 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.183 0.993 . . . . 0.0 113.451 -174.773 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.65 164.03 20.11 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.42 -1.425 . . . . 0.0 113.05 -178.587 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.49 41.81 24.06 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 113.273 -174.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m 62.69 7.91 2.74 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.123 2.169 . . . . 0.0 116.658 -178.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -68.02 -27.93 66.97 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.582 -1.324 . . . . 0.0 111.614 169.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.91 -48.26 82.06 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.046 1.738 . . . . 0.0 112.945 177.502 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.51 -36.43 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.467 0.576 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.61 -43.86 97.75 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.84 -0.537 . . . . 0.0 111.445 171.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.16 98.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.35 0.66 . . . . 0.0 111.737 174.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.46 -46.56 89.53 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.148 0.979 . . . . 0.0 112.235 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.09 -44.61 96.3 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.968 0.507 . . . . 0.0 112.164 177.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.41 -31.65 65.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -71.88 -47.32 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.256 1.022 . . . . 0.0 111.513 175.734 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -88.97 -32.03 17.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -169.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.502 0 N-CA-C 116.785 1.474 . . . . 0.0 116.785 161.021 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 118.48 -0.771 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m 37.51 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.444 3.498 . . . . 0.0 117.266 170.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -61.64 -22.44 65.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.56 1.544 . . . . 0.0 112.798 175.261 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -129.95 160.43 33.62 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.921 1.688 . . . . 0.0 113.039 176.044 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.3 mt -91.82 108.82 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.502 1.121 . . . . 0.0 108.235 175.13 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -72.75 141.13 48.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -88.33 163.95 15.79 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.264 1.426 . . . . 0.0 110.946 161.278 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -53.02 -41.28 64.56 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.336 1.455 . . . . 0.0 112.089 -177.289 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.88 -35.74 64.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.535 1.134 . . . . 0.0 113.496 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -79.44 -35.86 39.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.105 0.962 . . . . 0.0 111.128 178.061 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.02 -34.29 75.93 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.65 0.78 . . . . 0.0 112.293 176.028 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.44 -22.95 64.02 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.21 -32.39 71.63 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.065 -1.022 . . . . 0.0 112.653 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -76.43 -9.35 58.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.285 1.034 . . . . 0.0 113.327 178.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 m -75.3 -13.85 60.45 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.718 1.207 . . . . 0.0 111.979 -179.246 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.87 -45.12 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.119 1.768 . . . . 0.0 112.838 -176.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -156.22 158.63 37.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.145 0.978 . . . . 0.0 112.73 -172.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -92.74 88.36 6.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.763 1.225 . . . . 0.0 109.889 162.226 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -121.4 173.61 7.26 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.26 3.424 . . . . 0.0 112.335 8.648 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.38 86.83 5.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 110.343 173.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -140.85 151.61 44.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.559 1.144 . . . . 0.0 110.243 174.003 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.63 -128.44 47.46 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.601 -0.687 . . . . 0.0 112.623 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -58.68 -32.44 69.13 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -69.19 -34.13 74.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.201 0.91 . . . . 0.0 112.766 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.73 -43.2 80.55 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.044 0.538 . . . . 0.0 110.888 170.708 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.33 -46.56 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.392 0.677 . . . . 0.0 111.059 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.6 -45.05 95.73 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.922 0.783 . . . . 0.0 112.279 173.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.55 93.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.986 0.514 . . . . 0.0 112.343 178.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.11 -33.36 59.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.341 -0.838 . . . . 0.0 113.056 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.38 -32.63 71.48 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.68 1.582 . . . . 0.0 112.541 171.061 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.74 -15.13 59.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.615 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -120.02 -44.04 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.625 1.17 . . . . 0.0 112.979 -172.341 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.8 -20.94 13.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.58 1.552 . . . . 0.0 114.079 -178.667 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.769 0 C-N-CA 124.43 1.014 . . . . 0.0 114.613 -168.11 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 120.953 0.406 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 44.38 -88.67 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.93 3.292 . . . . 0.0 116.703 165.477 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -73.19 -16.14 61.43 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.528 1.131 . . . . 0.0 113.287 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -106.9 161.99 14.22 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.806 1.642 . . . . 0.0 112.09 172.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.71 129.26 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.436 1.494 . . . . 0.0 109.466 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m -115.36 84.47 2.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.989 0.915 . . . . 0.0 110.553 174.82 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -66.16 171.24 4.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.668 1.187 . . . . 0.0 111.991 170.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -46.32 -41.45 13.31 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.009 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.48 -39.02 89.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.504 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.25 -31.96 58.61 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 111.857 175.832 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.94 -32.98 74.95 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.987 -0.445 . . . . 0.0 112.03 171.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.7 -24.76 61.04 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 113.17 166.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -67.12 -28.6 68.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.643 -1.286 . . . . 0.0 112.337 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -63.14 -16.05 58.77 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.995 -1.066 . . . . 0.0 113.75 171.405 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.66 -14.54 59.96 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.741 1.216 . . . . 0.0 111.737 -179.903 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -67.01 -16.76 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -163.262 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -152.01 50.18 0.79 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.737 2.015 . . . . 0.0 110.18 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -132.31 160.94 34.79 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -168.593 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -66.18 132.37 48.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.688 1.195 . . . . 0.0 110.341 162.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.2 mt -137.88 96.76 3.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.978 0.911 . . . . 0.0 110.995 -173.371 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.56 -151.76 0.21 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.191 1.396 . . . . 0.0 111.952 -177.031 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.23 135.83 39.85 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.951 -1.093 . . . . 0.0 111.227 165.734 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 p 59.35 162.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.367 1.867 . . . . 0.0 114.415 -161.171 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 63.02 -38.01 0.16 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.725 2.41 . . . . 0.0 116.0 -172.256 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.28 -40.91 78.73 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.896 1.226 . . . . 0.0 111.439 167.19 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.66 -49.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.032 1.333 . . . . 0.0 110.172 176.854 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.44 -38.87 85.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.77 0.828 . . . . 0.0 111.928 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.29 99.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.721 0.809 . . . . 0.0 112.024 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -71.29 -33.83 70.09 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.708 -1.245 . . . . 0.0 113.078 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.81 6.77 2.97 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 169.282 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.97 -8.55 10.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.636 1.574 . . . . 0.0 113.821 167.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -126.36 -55.65 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.807 1.243 . . . . 0.0 113.189 -173.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.5 t -85.55 -33.39 21.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.654 0.661 . . . . 0.0 112.336 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 C-N-CA 125.234 1.397 . . . . 0.0 112.233 171.501 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 CA--C 1.547 0.834 0 CA-C-O 121.294 0.568 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -87.11 -25.71 24.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.255 1.422 . . . . 0.0 111.896 177.012 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -117.63 136.14 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.789 1.636 . . . . 0.0 109.027 162.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t 56.58 153.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.693 1.197 . . . . 0.0 113.584 -148.372 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.2 mt -89.6 -24.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.583 1.153 . . . . 0.0 111.822 -173.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m 62.01 160.43 0.07 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.303 2.241 . . . . 0.0 115.917 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -97.64 153.41 18.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.559 1.544 . . . . 0.0 110.629 164.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -25.19 68.14 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.056 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.14 -34.77 66.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.775 0.83 . . . . 0.0 112.853 171.061 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -71.08 -36.86 72.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.42 -0.8 . . . . 0.0 111.027 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.33 -45.76 79.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.615 0.766 . . . . 0.0 110.721 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.69 -33.71 68.66 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.519 -0.738 . . . . 0.0 112.411 172.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.61 -23.62 64.48 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.223 -0.923 . . . . 0.0 113.453 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.0 -11.73 60.9 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.838 -1.164 . . . . 0.0 113.207 169.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -109.77 -0.53 18.41 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.413 2.285 . . . . 0.0 113.276 175.648 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 126.12 1.768 . . . . 0.0 112.024 -174.335 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.54 0.564 0 CA-C-O 121.167 0.508 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -112.62 -1.8 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.951 1.7 . . . . 0.0 111.535 161.5 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -123.84 5.31 8.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.684 1.994 . . . . 0.0 112.656 173.788 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -144.04 142.91 30.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.945 1.698 . . . . 0.0 110.585 178.577 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -65.47 152.16 44.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.113 1.765 . . . . 0.0 113.45 -174.566 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.36 96.51 6.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.818 1.647 . . . . 0.0 110.097 176.413 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -95.55 -168.91 1.86 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.373 1.469 . . . . 0.0 112.15 176.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.77 137.86 30.71 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 121.301 -0.874 . . . . 0.0 113.348 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m 61.83 -39.89 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.662 2.385 . . . . 0.0 115.86 -167.389 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -61.75 -41.8 98.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.039 1.291 . . . . 0.0 111.731 176.639 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.5 -36.91 85.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.182 1.393 . . . . 0.0 112.4 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.73 -47.86 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.453 0.701 . . . . 0.0 110.147 177.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.81 -39.95 95.84 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.277 0.631 . . . . 0.0 112.081 174.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.78 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.361 0.664 . . . . 0.0 112.324 176.039 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.39 -39.23 91.97 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.356 -0.84 . . . . 0.0 112.334 178.529 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.52 -17.31 64.74 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.52 -43.56 10.15 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.493 1.117 . . . . 0.0 112.4 171.879 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.13 -40.04 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.944 1.297 . . . . 0.0 112.529 -174.587 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -86.7 5.3 36.84 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.805 0 CA-C-N 120.064 1.302 . . . . 0.0 111.118 170.083 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 122.212 1.006 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 153.25 25.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.549 1.94 . . . . 0.0 112.579 -171.186 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.304 4.4 t 56.23 -43.83 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 130.098 3.359 . . . . 0.0 116.981 -176.17 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 p -109.13 155.35 21.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.176 1.791 . . . . 0.0 111.582 167.179 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mt -93.79 123.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 110.709 -175.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -75.66 154.19 36.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.074 1.75 . . . . 0.0 111.699 172.694 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.2 p -80.83 154.56 27.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.212 -0.93 . . . . 0.0 111.099 165.166 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.06 -30.92 69.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.01 0.924 . . . . 0.0 112.513 -177.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -53.33 -32.9 51.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.645 1.578 . . . . 0.0 113.616 171.258 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -71.5 -26.87 62.86 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.187 -0.946 . . . . 0.0 112.253 -177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.12 -25.63 67.07 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.347 1.059 . . . . 0.0 112.818 -177.512 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.46 -31.56 69.43 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.525 1.13 . . . . 0.0 113.137 170.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.89 -28.16 68.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.257 -0.902 . . . . 0.0 112.877 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.24 -25.58 65.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.099 . . . . 0.0 112.568 173.215 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 t -83.23 -24.29 32.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.636 1.174 . . . . 0.0 112.507 178.044 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 p30 . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 125.55 1.54 . . . . 0.0 111.763 177.46 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.83 106.87 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 125.407 1.483 . . . . 0.0 110.709 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -132.49 149.47 52.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.759 2.824 . . . . 0.0 112.221 -5.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -157.64 -177.96 6.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.997 2.119 . . . . 0.0 110.728 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -71.18 131.11 43.05 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.106 -0.996 . . . . 0.0 109.925 160.194 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -107.53 78.37 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.22 1.008 . . . . 0.0 108.359 172.022 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -145.05 130.09 18.4 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.182 1.393 . . . . 0.0 110.915 -176.199 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.13 -32.91 0.53 Allowed Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.868 1.699 . . . . 0.0 115.684 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -145.13 170.5 16.11 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.044 2.137 . . . . 0.0 110.772 174.096 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m80 60.2 -22.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.766 2.826 . . . . 0.0 117.081 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.3 tp -52.08 -51.83 55.17 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.624 1.57 . . . . 0.0 112.94 -172.28 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.6 -48.96 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.235 0.925 . . . . 0.0 112.492 -173.273 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.3 -37.66 83.73 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.222 -0.924 . . . . 0.0 112.065 176.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.225 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -68.87 -49.45 58.17 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.412 -0.805 . . . . 0.0 111.507 171.444 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -62.84 -40.78 98.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.598 0.759 . . . . 0.0 112.875 -172.323 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.26 -17.03 61.37 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -85.44 -45.16 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.146 0.978 . . . . 0.0 111.412 177.024 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 t -81.91 -16.6 50.05 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 176.217 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.532 0 C-N-CA 125.433 1.492 . . . . 0.0 115.849 172.775 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -143.75 160.1 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.242 2.217 . . . . 0.0 110.355 174.463 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.301 3.2 t 57.02 -42.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 130.301 3.44 . . . . 0.0 117.307 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.6 m -93.04 153.7 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.712 163.565 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -95.74 114.07 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.888 0.875 . . . . 0.0 109.207 -179.462 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -76.45 146.81 38.32 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.022 1.329 . . . . 0.0 113.106 -178.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.48 165.81 13.59 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.082 1.353 . . . . 0.0 111.32 168.186 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.28 -29.64 64.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.869 0.868 . . . . 0.0 112.736 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -53.45 -37.14 62.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.697 1.199 . . . . 0.0 113.171 173.15 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -73.27 -35.18 66.15 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.529 -0.732 . . . . 0.0 111.469 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -71.43 -40.91 70.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.362 0.665 . . . . 0.0 111.056 175.544 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.21 -28.32 69.06 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.177 -0.952 . . . . 0.0 112.792 173.203 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -67.95 -30.52 69.84 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.114 0.87 . . . . 0.0 112.717 173.4 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -76.61 -33.94 58.4 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.259 170.432 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.8 m -66.44 -37.47 85.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.823 0.849 . . . . 0.0 112.606 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 125.869 1.668 . . . . 0.0 110.57 178.18 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.548 0.689 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t 64.9 -35.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 127.884 2.474 . . . . 0.0 114.399 -167.73 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.8 -34.5 77.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.297 1.439 . . . . 0.0 112.367 165.318 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -154.02 169.04 24.46 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.84 1.656 . . . . 0.0 111.697 -172.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -61.73 153.94 26.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.969 1.308 . . . . 0.0 113.409 -177.335 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.73 20.68 12.81 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.699 1.6 . . . . 0.0 113.079 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.14 151.55 42.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.558 1.543 . . . . 0.0 114.48 -170.03 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.32 -85.29 1.57 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.899 1.238 . . . . 0.0 111.702 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 70.0 m -133.64 -13.27 2.6 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -178.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.5 -27.12 69.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.902 1.228 . . . . 0.0 113.123 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -63.41 -26.02 68.55 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 173.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.68 -44.19 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.387 0.994 . . . . 0.0 110.179 174.594 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.83 -29.74 70.26 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.382 0.673 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.95 -44.05 56.22 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.329 1.052 . . . . 0.0 112.262 169.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.93 -35.93 79.85 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.262 1.025 . . . . 0.0 112.268 -178.534 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.23 -6.08 12.5 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.184 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.1 -22.24 10.12 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.619 1.567 . . . . 0.0 113.333 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -78.94 -35.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.445 1.098 . . . . 0.0 110.851 169.781 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 p -141.68 76.93 1.57 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.933 2.093 . . . . 0.0 110.735 165.512 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 O-C-N 118.366 -2.709 . . . . 0.0 114.809 -0.633 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 40.59 -91.31 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.757 2.823 . . . . 0.0 115.93 176.174 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 m -61.99 -25.13 67.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.498 1.519 . . . . 0.0 112.855 177.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -105.22 153.59 21.37 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.1 1.76 . . . . 0.0 112.043 175.1 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.94 143.35 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.427 1.091 . . . . 0.0 110.625 177.454 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 m -132.87 162.73 30.8 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.634 1.574 . . . . 0.0 112.422 177.506 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -144.84 177.6 8.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.517 2.327 . . . . 0.0 109.148 173.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.43 -41.95 41.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.132 1.373 . . . . 0.0 113.04 -177.76 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -57.77 -35.78 71.25 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.707 1.203 . . . . 0.0 113.327 176.083 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -80.54 -38.07 30.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.787 0.835 . . . . 0.0 111.242 176.516 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.4 -35.24 79.82 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.453 0.701 . . . . 0.0 112.67 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.71 -34.85 54.27 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.687 1.195 . . . . 0.0 112.942 170.42 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.45 -16.38 62.92 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.59 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 -24.58 44.82 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.11 0.868 . . . . 0.0 113.161 176.433 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -114.97 -31.16 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.779 0.831 . . . . 0.0 111.619 176.908 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.538 0.685 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.23 -28.53 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.323 1.449 . . . . 0.0 112.642 -177.252 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 48.76 36.46 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.963 2.105 . . . . 0.0 114.721 174.574 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -141.23 106.78 5.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.282 1.833 . . . . 0.0 108.844 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.6 m80 49.71 50.92 17.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.52 1.528 . . . . 0.0 114.669 167.321 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.08 111.25 1.25 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.532 1.133 . . . . 0.0 111.302 -173.124 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -143.24 151.04 40.12 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.93 1.292 . . . . 0.0 110.961 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.96 -127.37 40.97 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 123.434 0.54 . . . . 0.0 112.297 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -49.09 -43.77 41.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.333 . . . . 0.0 113.123 177.683 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.98 -21.07 62.35 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -176.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -86.77 -47.9 8.7 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.213 0.605 . . . . 0.0 111.543 172.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 m -69.5 -40.81 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.537 0.608 . . . . 0.0 112.291 -175.738 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.52 -33.16 74.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.311 0.96 . . . . 0.0 112.17 175.529 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.43 58.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.658 -0.651 . . . . 0.0 111.715 175.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.36 -32.91 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.019 -1.05 . . . . 0.0 112.394 173.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -65.77 -20.98 66.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.468 1.031 . . . . 0.0 113.711 173.818 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.73 -23.66 13.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.511 1.524 . . . . 0.0 113.047 179.426 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -90.15 -50.28 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.879 1.272 . . . . 0.0 111.783 175.489 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -97.59 30.21 3.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.164 1.786 . . . . 0.0 112.028 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.195 0 C-N-CA 124.659 1.123 . . . . 0.0 112.764 -175.468 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.57 159.32 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 111.893 176.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.71 -48.29 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.57 0.748 . . . . 0.0 112.554 -172.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -75.99 -30.03 58.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.6 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.908 2.929 . . . . 0.0 118.908 167.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t 56.49 -108.4 0.43 Allowed 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 120.692 1.587 . . . . 0.0 110.76 -161.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m 55.14 18.26 2.3 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 p -90.9 -61.7 1.61 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.044 1.338 . . . . 0.0 111.246 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -118.81 161.86 19.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.01 2.124 . . . . 0.0 109.273 165.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -59.49 115.55 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -170.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.07 122.77 22.33 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -157.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -69.45 154.32 42.19 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.94 0.896 . . . . 0.0 110.632 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.67 -29.9 70.98 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.235 -0.916 . . . . 0.0 112.41 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -56.36 -35.88 68.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.44 1.096 . . . . 0.0 113.142 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.42 -36.17 58.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.844 0.857 . . . . 0.0 111.038 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.47 -32.07 70.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.401 1.08 . . . . 0.0 112.618 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.75 -20.38 56.21 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -56.82 -34.88 68.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.847 0.859 . . . . 0.0 112.282 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -93.04 -19.86 21.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.587 1.555 . . . . 0.0 112.599 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -74.64 -34.44 62.75 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.492 0.717 . . . . 0.0 111.8 169.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 C--O 1.239 0.527 0 C-N-CA 125.903 1.681 . . . . 0.0 110.596 -178.046 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 120.95 0.405 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -133.76 -45.17 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.283 1.833 . . . . 0.0 110.227 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -110.35 172.26 6.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.133 1.773 . . . . 0.0 111.205 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.09 131.08 48.36 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.816 0.846 . . . . 0.0 111.431 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -154.44 165.41 36.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.317 3.047 . . . . 0.0 109.353 -13.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.02 154.39 35.77 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.549 1.54 . . . . 0.0 110.856 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m 64.13 138.41 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.959 2.504 . . . . 0.0 114.508 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.87 -3.85 65.13 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 128.117 2.77 . . . . 0.0 114.944 -6.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -122.68 -168.05 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.529 1.932 . . . . 0.0 111.023 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 61.43 -28.64 0.06 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.933 2.893 . . . . 0.0 116.855 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.95 -44.52 97.17 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.194 1.361 . . . . 0.0 111.998 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.77 -37.91 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 122.975 0.51 . . . . 0.0 111.858 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.76 -38.28 86.28 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.705 0.684 . . . . 0.0 112.103 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -48.88 78.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.212 0.605 . . . . 0.0 110.903 170.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.09 -38.22 85.3 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.099 -1.001 . . . . 0.0 113.249 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -57.64 -29.78 64.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.259 0.936 . . . . 0.0 112.773 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.71 -32.49 16.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.255 1.022 . . . . 0.0 113.347 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -87.21 -36.3 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.877 1.271 . . . . 0.0 112.844 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -85.45 69.27 10.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 149.37 170.62 17.13 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.554 1.55 . . . . 0.0 113.352 169.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -17.07 64.59 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -135.0 36.12 3.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.63 1.972 . . . . 0.0 110.467 163.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.64 -162.46 50.44 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.139 0.876 . . . . 0.0 113.045 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 t80 52.05 -161.9 0.09 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.057 1.343 . . . . 0.0 112.402 -170.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -141.38 140.04 33.62 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.717 1.207 . . . . 0.0 110.378 166.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -141.43 119.4 7.78 Favored Pre-proline 0 N--CA 1.471 0.591 0 C-N-CA 123.631 0.772 . . . . 0.0 109.822 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.73 159.52 38.62 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.111 2.541 . . . . 0.0 112.716 -176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -143.16 146.22 33.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.797 1.639 . . . . 0.0 111.223 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.293 1.837 . . . . 0.0 112.225 177.251 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 121.08 0.267 . . . . 0.0 112.748 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.76 -33.13 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.638 1.575 . . . . 0.0 112.182 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.07 -14.64 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -79.61 -12.16 59.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.945 0.898 . . . . 0.0 112.916 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -108.64 166.59 10.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.887 2.075 . . . . 0.0 110.36 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.7 m -91.84 -28.62 17.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 130.164 3.385 . . . . 0.0 111.172 -9.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 m 52.8 -70.92 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 130.232 3.413 . . . . 0.0 116.811 160.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -75.57 -26.94 58.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.929 1.292 . . . . 0.0 111.859 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -118.42 153.66 33.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.088 1.355 . . . . 0.0 113.908 -170.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mm -63.63 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.444 1.498 . . . . 0.0 109.427 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.71 117.23 19.13 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.525 0.679 . . . . 0.0 112.676 163.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.2 m -94.87 172.86 7.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 111.849 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.9 -38.74 62.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.532 1.133 . . . . 0.0 113.596 -170.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.41 -38.15 83.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.36 1.064 . . . . 0.0 113.298 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.59 -37.09 60.11 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.508 1.123 . . . . 0.0 110.918 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.59 -38.31 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.561 1.144 . . . . 0.0 112.359 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.68 -27.07 62.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.399 1.079 . . . . 0.0 112.891 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.77 -5.66 35.73 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -94.64 -9.63 34.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.832 1.253 . . . . 0.0 113.355 167.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -113.31 -32.57 6.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.253 1.421 . . . . 0.0 112.961 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.3 p30 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.345 1.458 . . . . 0.0 112.352 179.023 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 p90 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.79 158.96 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 130.603 3.561 . . . . 0.0 113.212 -0.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.5 34.63 17.92 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.914 1.686 . . . . 0.0 115.269 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -133.21 166.43 22.49 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.796 1.238 . . . . 0.0 111.832 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.09 146.47 53.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.868 1.267 . . . . 0.0 111.658 169.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -136.28 142.23 43.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.163 1.785 . . . . 0.0 108.451 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 t -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.926 0.784 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.3 -131.53 50.7 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.405 0.447 . . . . 0.0 113.524 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -58.85 -27.81 65.5 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.525 1.13 . . . . 0.0 113.714 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -70.79 -30.59 67.11 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.368 0.986 . . . . 0.0 112.65 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.77 -46.65 65.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.443 0.565 . . . . 0.0 109.804 169.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.21 -44.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 121.579 -0.701 . . . . 0.0 111.629 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.8 -38.15 89.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.596 0.758 . . . . 0.0 112.806 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.831 0.742 . . . . 0.0 112.561 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.625 -1.297 . . . . 0.0 112.332 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -72.91 -5.71 40.27 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 171.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.0 -45.68 5.86 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.053 1.341 . . . . 0.0 111.797 166.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.06 -34.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.833 1.653 . . . . 0.0 112.552 -172.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -110.36 4.72 20.96 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.649 1.58 . . . . 0.0 113.475 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.5 -130.97 34.81 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.492 1.044 . . . . 0.0 113.523 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -76.08 -9.51 58.68 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -65.91 138.38 57.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.911 1.284 . . . . 0.0 110.495 174.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.8 -167.2 14.77 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 115.56 0.984 . . . . 0.0 115.56 -167.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' DHI . . . . . 0.632 ' HD1' ' H ' ' B' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -74.42 -1.62 21.88 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -170.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.632 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 30.2 t80 -52.96 -38.87 62.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.144 0.978 . . . . 0.0 112.883 169.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 37.1 p 41.37 64.81 5.02 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 126.773 2.029 . . . . 0.0 115.207 167.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -66.47 153.92 76.23 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.274 2.649 . . . . 0.0 113.015 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -75.74 159.82 30.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.915 2.486 . . . . 0.0 113.826 0.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.37 1.868 . . . . 0.0 112.481 -177.28 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.429 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.75 134.97 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.443 1.097 . . . . 0.0 110.147 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.73 1.99 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.362 1.465 . . . . 0.0 113.943 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -147.54 151.46 36.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.628 1.571 . . . . 0.0 110.818 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -124.85 158.23 33.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.133 1.373 . . . . 0.0 112.12 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.257 30.8 t -80.4 45.11 0.74 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.938 1.695 . . . . 0.0 112.463 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.08 157.3 26.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.044 1.738 . . . . 0.0 110.384 158.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m 65.31 -50.2 0.36 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.649 2.379 . . . . 0.0 115.789 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -107.03 153.97 21.82 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.877 1.671 . . . . 0.0 111.64 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -102.44 130.68 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.449 1.1 . . . . 0.0 109.793 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -101.09 156.07 17.63 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.7 1.6 . . . . 0.0 113.963 -168.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -84.25 153.06 23.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.154 1.382 . . . . 0.0 111.521 167.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.23 -23.89 66.92 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.428 -0.795 . . . . 0.0 112.019 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -57.47 -35.18 69.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 112.458 170.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.84 -37.69 73.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.407 -0.808 . . . . 0.0 110.739 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -65.51 -40.25 92.78 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.139 0.576 . . . . 0.0 111.296 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.91 -35.25 80.55 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.109 -0.995 . . . . 0.0 112.32 172.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -67.61 -30.56 70.18 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.514 -0.741 . . . . 0.0 112.47 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -71.27 -39.14 71.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.106 0.866 . . . . 0.0 111.673 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.67 -32.14 73.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.908 0.883 . . . . 0.0 112.221 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 . . . . . 0 C--O 1.238 0.481 0 C-N-CA 125.992 1.717 . . . . 0.0 110.476 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.41 137.52 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.378 1.071 . . . . 0.0 110.389 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.08 52.99 1.63 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.323 1.449 . . . . 0.0 112.085 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.81 44.85 1.92 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.556 1.942 . . . . 0.0 111.273 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 45.8 m80 65.74 162.15 0.15 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.207 2.203 . . . . 0.0 115.303 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -138.74 99.17 3.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.338 1.455 . . . . 0.0 109.075 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -145.79 152.82 40.15 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.446 -0.784 . . . . 0.0 111.324 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -139.78 47.7 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 -171.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -55.92 -32.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.241 1.016 . . . . 0.0 113.669 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -64.66 -32.88 74.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.597 0.759 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -71.43 -38.33 71.37 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.26 0.624 . . . . 0.0 111.569 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.78 -45.79 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.345 0.658 . . . . 0.0 110.479 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.59 -38.77 92.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.606 -0.684 . . . . 0.0 112.381 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.26 99.77 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.242 -0.911 . . . . 0.0 111.863 172.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.91 -30.18 67.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.271 -0.893 . . . . 0.0 113.282 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -62.26 -39.01 91.49 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.37 0.986 . . . . 0.0 111.393 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -73.59 -46.37 47.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.366 1.066 . . . . 0.0 112.707 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.43 -40.15 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.68 -10.51 58.13 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.947 0.899 . . . . 0.0 113.188 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 128.84 6.34 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 126.188 1.851 . . . . 0.0 114.306 168.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -23.26 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.198 1.399 . . . . 0.0 113.62 -175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.8 -28.69 69.2 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.833 1.253 . . . . 0.0 113.495 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.01 -18.68 3.11 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.76 1.172 . . . . 0.0 115.613 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -72.57 146.2 46.88 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.601 -0.687 . . . . 0.0 110.909 168.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -143.33 150.95 39.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.468 1.507 . . . . 0.0 111.434 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.0 p -135.54 126.91 17.38 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 124.995 1.318 . . . . 0.0 110.401 170.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.74 -18.12 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.76 2.307 . . . . 0.0 114.133 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -144.74 136.34 25.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.548 1.539 . . . . 0.0 111.053 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.829 1.652 . . . . 0.0 112.575 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.337 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.481 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -77.99 154.71 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.24 1.016 . . . . 0.0 113.071 178.445 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.5 -0.7 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -140.1 160.4 40.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.81 1.644 . . . . 0.0 111.999 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -137.06 157.61 46.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.589 1.556 . . . . 0.0 111.211 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' H ' ' CD2' ' B' ' 11' ' ' LEU . 0.1 OUTLIER -77.84 160.32 28.4 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.655 1.182 . . . . 0.0 112.887 -176.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.72 153.85 0.07 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.962 2.505 . . . . 0.0 115.815 -174.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 p -82.65 156.74 23.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.608 2.763 . . . . 0.0 111.729 -9.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -83.16 -163.42 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.849 3.26 . . . . 0.0 112.702 -1.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.12 129.76 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.369 1.467 . . . . 0.0 111.665 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.3 m -93.46 160.77 14.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.753 1.221 . . . . 0.0 112.728 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -131.95 172.65 12.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.467 1.907 . . . . 0.0 111.075 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -52.63 -37.87 59.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.18 1.392 . . . . 0.0 112.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -61.53 -39.59 91.61 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.756 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -69.43 -37.74 77.54 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.432 -0.792 . . . . 0.0 110.889 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.55 -43.38 94.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.044 0.538 . . . . 0.0 111.995 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.18 -24.96 68.12 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.216 -0.927 . . . . 0.0 113.26 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -68.2 -10.51 54.94 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 120.901 -1.124 . . . . 0.0 113.713 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.54 -2.23 57.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.442 1.097 . . . . 0.0 113.662 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.99 96.98 3.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 122.87 1.319 . . . . 0.0 112.57 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.261 1.424 . . . . 0.0 111.275 176.01 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.998 0.427 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.41 -16.34 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.913 1.285 . . . . 0.0 111.722 162.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -142.22 165.2 28.09 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.932 2.093 . . . . 0.0 110.393 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 64.04 156.1 0.07 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.07 2.148 . . . . 0.0 113.9 -166.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -63.16 136.21 57.61 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.239 1.016 . . . . 0.0 112.199 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tp -123.99 12.57 9.04 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.026 1.33 . . . . 0.0 113.256 -172.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.42 166.92 10.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.587 1.955 . . . . 0.0 112.826 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.88 83.36 0.82 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.594 1.092 . . . . 0.0 111.638 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.5 m 61.48 -25.49 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 128.347 2.659 . . . . 0.0 117.124 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -76.01 -20.07 58.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.668 1.122 . . . . 0.0 113.641 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.431 ' CD2' ' H ' ' A' ' 6' ' ' CYS . 59.8 tp -61.87 -42.08 98.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.435 -0.791 . . . . 0.0 112.58 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.24 -35.89 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.974 0.806 . . . . 0.0 111.752 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.51 -35.57 79.36 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.316 0.646 . . . . 0.0 112.035 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.12 79.58 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.486 0.714 . . . . 0.0 112.213 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.83 -30.87 71.56 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.252 -0.905 . . . . 0.0 112.284 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -65.22 -17.81 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.64 -40.83 10.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.529 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.98 -35.67 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.146 0.978 . . . . 0.0 112.978 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.14 -4.91 13.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.22 1.808 . . . . 0.0 114.172 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.77 170.42 42.67 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.353 0.978 . . . . 0.0 113.465 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -78.78 -12.75 60.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -147.25 153.99 40.46 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.789 1.636 . . . . 0.0 111.305 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.73 156.81 27.85 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.063 1.316 . . . . 0.0 113.605 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.43 3.61 12.92 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.234 1.414 . . . . 0.0 114.338 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 54.48 103.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.594 2.358 . . . . 0.0 113.141 -159.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 p -131.88 81.6 62.32 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 124.947 1.299 . . . . 0.0 111.472 -172.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -85.27 -8.01 8.84 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.006 3.138 . . . . 0.0 115.079 -173.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.84 131.28 50.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.291 1.436 . . . . 0.0 113.503 -168.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.065 1.746 . . . . 0.0 113.78 178.585 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.82 137.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.204 1.002 . . . . 0.0 109.571 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.27 148.31 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.496 1.518 . . . . 0.0 110.617 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.88 -6.9 35.85 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -171.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -78.13 44.48 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.3 2.24 . . . . 0.0 114.288 -168.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -7.6 45.51 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.74 1.216 . . . . 0.0 113.46 172.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -84.86 59.27 5.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.87 1.668 . . . . 0.0 109.829 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -27.64 65.62 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -167.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 p -64.18 149.42 47.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 131.417 3.887 . . . . 0.0 114.233 -1.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt 47.37 94.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 128.037 2.535 . . . . 0.0 114.633 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -68.48 171.39 7.51 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.76 0.79 . . . . 0.0 111.738 157.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -136.49 165.64 25.36 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.375 1.07 . . . . 0.0 112.061 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.37 -36.13 61.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 112.851 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -61.38 -30.62 70.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.698 1.199 . . . . 0.0 113.68 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -77.28 -33.02 55.87 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.16 -0.962 . . . . 0.0 111.287 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.26 -40.77 58.54 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.697 0.799 . . . . 0.0 112.972 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -14.93 62.86 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -173.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.82 -31.25 68.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 112.917 168.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -86.26 -5.34 59.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.1 -6.32 38.27 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -172.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.763 1.625 . . . . 0.0 113.678 172.9 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t 54.62 -54.85 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 130.284 3.434 . . . . 0.0 117.45 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.37 78.45 1.64 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.066 1.746 . . . . 0.0 111.212 -171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.77 -178.05 6.49 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.868 -1.145 . . . . 0.0 113.518 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -71.51 68.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.308 1.843 . . . . 0.0 112.935 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.46 46.94 0.78 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.77 1.628 . . . . 0.0 111.952 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -87.82 151.0 23.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.096 1.358 . . . . 0.0 112.522 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.19 -123.81 33.76 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.667 -0.646 . . . . 0.0 113.413 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.51 -27.29 66.02 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -73.03 -17.57 61.42 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.233 -0.917 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.02 -48.59 52.19 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 111.037 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.48 -38.84 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.02 0.528 . . . . 0.0 111.872 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -61.1 -37.43 82.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.065 0.546 . . . . 0.0 112.269 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.22 62.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.121 0.568 . . . . 0.0 111.905 172.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.15 -39.35 75.07 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.206 0.912 . . . . 0.0 112.646 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.235 1.014 . . . . 0.0 113.34 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -106.88 -40.83 5.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.122 1.769 . . . . 0.0 112.138 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.11 -36.6 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.625 1.57 . . . . 0.0 111.722 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -92.09 3.24 55.72 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.582 1.153 . . . . 0.0 113.951 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.7 -17.64 2.06 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.879 1.704 . . . . 0.0 116.195 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.74 165.32 32.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.874 1.67 . . . . 0.0 112.026 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -10.16 59.47 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.92 164.03 36.94 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.778 1.18 . . . . 0.0 114.069 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -84.44 -7.84 59.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -167.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 t80 55.22 98.72 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.263 2.225 . . . . 0.0 113.232 -165.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -124.62 74.32 62.83 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.304 1.442 . . . . 0.0 111.147 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.72 159.91 51.16 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.663 2.909 . . . . 0.0 112.86 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -143.8 160.68 40.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.753 1.621 . . . . 0.0 112.532 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.786 1.634 . . . . 0.0 113.203 178.001 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -138.85 149.37 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 128.932 2.893 . . . . 0.0 110.746 1.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.25 -17.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -149.29 150.65 32.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.344 1.457 . . . . 0.0 111.855 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -142.15 54.43 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.84 1.256 . . . . 0.0 111.742 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m 55.63 19.7 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.89 -24.29 59.69 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -123.29 -8.42 8.15 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -168.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 t -143.49 156.34 44.6 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.85 1.26 . . . . 0.0 112.258 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.27 93.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.824 1.25 . . . . 0.0 109.723 -175.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.18 113.17 9.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.904 0.482 . . . . 0.0 111.348 171.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.8 p -69.38 164.55 22.69 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.275 1.03 . . . . 0.0 110.802 161.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.2 -31.16 70.93 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.752 -1.218 . . . . 0.0 112.243 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -57.17 -40.68 77.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.829 0.851 . . . . 0.0 112.374 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -71.04 -36.96 72.54 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.706 -0.621 . . . . 0.0 111.184 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.37 -36.25 81.69 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.794 0.437 . . . . 0.0 111.74 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.7 -32.59 74.0 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.857 -1.152 . . . . 0.0 113.31 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.58 -28.25 69.0 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.522 1.055 . . . . 0.0 113.073 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -70.25 -43.64 70.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.248 0.931 . . . . 0.0 111.378 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.88 -39.89 93.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.807 0.843 . . . . 0.0 112.82 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 126.163 1.785 . . . . 0.0 113.672 175.838 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.91 167.28 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 130.162 3.385 . . . . 0.0 111.805 -6.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 55.39 -146.64 0.56 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.587 1.555 . . . . 0.0 112.483 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -139.76 160.66 39.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.584 1.954 . . . . 0.0 110.513 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -103.03 121.91 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.027 2.931 . . . . 0.0 112.974 10.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.07 134.44 33.83 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.777 1.231 . . . . 0.0 108.264 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.3 t -147.05 -98.35 0.09 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.54 0.736 . . . . 0.0 112.09 -169.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.46 -11.23 80.0 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.58 1.086 . . . . 0.0 114.918 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.37 163.04 34.02 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.116 1.767 . . . . 0.0 110.59 171.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m80 60.37 -27.92 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.093 2.957 . . . . 0.0 117.181 -177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.6 -48.21 80.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.025 1.284 . . . . 0.0 112.168 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.92 -28.94 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.24 -43.59 50.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.311 0.645 . . . . 0.0 110.998 170.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.59 -37.76 79.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.344 1.057 . . . . 0.0 113.033 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.61 -45.28 94.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.353 0.979 . . . . 0.0 111.365 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.97 -33.89 61.94 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.83 -31.76 72.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.653 0.781 . . . . 0.0 112.537 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -79.38 -45.77 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.561 1.144 . . . . 0.0 111.637 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.1 -33.73 59.49 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.5 124.69 0.71 Allowed Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.491 1.52 . . . . 0.0 112.349 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 58.79 171.72 0.06 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.867 2.067 . . . . 0.0 114.993 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -83.07 -17.14 44.24 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.486 1.514 . . . . 0.0 113.984 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 123.31 31.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.13 0.871 . . . . 0.0 112.711 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.35 144.51 20.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.649 1.579 . . . . 0.0 112.997 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -108.63 125.82 52.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.92 1.688 . . . . 0.0 111.749 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -85.8 115.28 61.07 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.152 0.981 . . . . 0.0 111.389 171.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.54 158.96 43.51 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.757 2.305 . . . . 0.0 112.52 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -143.74 139.26 29.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.809 1.643 . . . . 0.0 111.197 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.485 1.294 0 C-N-CA 127.884 2.474 . . . . 0.0 113.337 178.786 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tp -70.86 144.98 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.226 1.01 . . . . 0.0 111.856 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 m -81.55 -14.4 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -139.28 158.93 43.3 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.195 1.798 . . . . 0.0 110.484 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.98 146.72 29.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.999 0.92 . . . . 0.0 113.029 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.04 11.19 23.81 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.129 1.371 . . . . 0.0 114.246 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.5 -22.66 34.22 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 p -85.7 -10.67 55.31 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.397 1.479 . . . . 0.0 114.566 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -142.86 156.68 44.97 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -168.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -84.02 65.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 167.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 m -54.16 145.63 16.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.776 1.23 . . . . 0.0 113.335 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.7 m -77.24 158.0 30.52 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.647 1.179 . . . . 0.0 111.83 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.0 -32.2 70.64 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -56.57 -31.05 63.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.383 1.073 . . . . 0.0 112.514 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -81.94 -31.34 31.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.76 -30.99 68.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.55 0.74 . . . . 0.0 112.644 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.72 -20.52 49.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -57.09 -29.39 63.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.89 1.276 . . . . 0.0 112.791 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -88.31 -1.9 58.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.492 1.517 . . . . 0.0 113.152 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.47 -32.02 5.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.555 1.542 . . . . 0.0 113.025 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.983 1.313 . . . . 0.0 112.145 179.73 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.45 118.08 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.271 1.828 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -151.37 154.96 37.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.045 3.338 . . . . 0.0 109.547 -12.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 61.14 174.3 0.11 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.585 1.554 . . . . 0.0 112.471 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -60.85 122.98 16.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.389 -1.444 . . . . 0.0 110.349 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.94 85.69 7.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 122.025 0.917 . . . . 0.0 111.811 -159.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.87 158.66 29.83 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.787 2.035 . . . . 0.0 110.896 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.01 -126.45 22.35 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.884 0.754 . . . . 0.0 114.384 168.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.4 p -62.25 -33.09 73.95 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -66.16 -40.92 90.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.567 1.076 . . . . 0.0 111.537 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.67 -39.61 88.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.37 0.668 . . . . 0.0 111.84 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.27 -47.0 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.897 0.879 . . . . 0.0 111.602 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.25 -46.65 85.57 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 111.635 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.19 93.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.06 -30.56 66.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.214 -0.929 . . . . 0.0 113.204 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.9 -34.46 77.83 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.015 1.28 . . . . 0.0 112.467 168.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.15 -39.77 68.5 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.121 0.873 . . . . 0.0 113.075 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.48 -39.44 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.004 0.922 . . . . 0.0 112.68 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.5 m -127.92 -3.41 5.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.62 -34.06 10.69 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 119.761 1.164 . . . . 0.0 113.454 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -134.62 88.6 2.46 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.738 1.615 . . . . 0.0 110.899 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -144.89 137.12 26.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.537 2.335 . . . . 0.0 111.087 -3.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.76 174.31 43.37 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 128.406 2.907 . . . . 0.0 113.624 -1.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -80.77 137.59 36.25 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.054 -1.029 . . . . 0.0 112.218 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -155.07 142.36 19.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.577 1.551 . . . . 0.0 110.954 170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -140.79 131.74 13.68 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 110.491 166.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.01 63.55 8.76 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.121 3.214 . . . . 0.0 112.511 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -91.55 158.37 16.48 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.921 1.689 . . . . 0.0 112.15 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.485 1.293 0 C-N-CA 127.494 2.318 . . . . 0.0 113.275 179.118 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.427 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -72.46 162.02 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.68 0.792 . . . . 0.0 112.655 173.564 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.94 -15.52 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.94 147.97 25.54 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.061 1.344 . . . . 0.0 112.188 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -125.04 -1.8 7.74 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.943 1.697 . . . . 0.0 112.498 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m 54.7 47.41 22.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.815 1.646 . . . . 0.0 111.409 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -102.79 -36.59 8.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.38 1.472 . . . . 0.0 114.036 -166.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -104.57 -40.86 5.88 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.678 1.191 . . . . 0.0 110.975 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -99.5 154.34 18.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.568 1.547 . . . . 0.0 112.27 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -99.31 125.7 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 108.993 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.5 m -97.31 121.42 39.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.929 . . . . 0.0 112.459 -170.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 m -67.05 156.28 36.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.25 1.02 . . . . 0.0 111.176 167.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.34 -26.13 67.61 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.99 -1.069 . . . . 0.0 112.897 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.71 -37.26 58.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.986 1.314 . . . . 0.0 113.185 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.73 -44.25 82.03 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.482 -0.762 . . . . 0.0 110.735 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.91 -37.92 87.33 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.796 0.438 . . . . 0.0 110.983 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.0 -36.62 84.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 170.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -67.98 -28.78 67.73 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.308 -0.87 . . . . 0.0 112.565 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -78.07 -34.72 50.13 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.897 0.771 . . . . 0.0 111.511 172.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.08 -39.62 93.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.929 1.291 . . . . 0.0 112.43 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 127.29 2.236 . . . . 0.0 113.68 176.495 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.39 -20.76 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.106 1.362 . . . . 0.0 113.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.34 -16.03 58.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -170.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.86 177.64 8.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.372 1.469 . . . . 0.0 112.546 -169.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -62.83 156.25 24.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.672 1.189 . . . . 0.0 112.306 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.24 26.39 8.49 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.548 1.139 . . . . 0.0 112.63 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -105.46 149.57 26.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.347 1.859 . . . . 0.0 113.07 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -0.36 60.02 Favored Glycine 0 CA--C 1.55 2.279 0 N-CA-C 119.297 2.479 . . . . 0.0 119.297 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -143.73 151.27 39.8 Favored 'General case' 0 N--CA 1.475 0.803 2 CA-C-N 126.442 5.121 . . . . 0.0 111.835 -5.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -124.96 -14.21 6.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.089 1.756 . . . . 0.0 113.047 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -54.08 -34.48 60.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.511 1.125 . . . . 0.0 114.029 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.37 -38.3 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.791 0.836 . . . . 0.0 112.941 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.2 -44.12 72.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.515 0.726 . . . . 0.0 110.615 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -38.47 76.76 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.093 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.97 -43.15 79.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.706 0.802 . . . . 0.0 112.522 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -63.01 -39.82 95.89 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.96 1.254 . . . . 0.0 111.902 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.5 -9.41 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.52 -40.67 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.018 1.727 . . . . 0.0 112.327 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 t -95.83 -30.26 13.77 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.447 1.499 . . . . 0.0 114.338 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.01 117.36 0.4 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.623 1.106 . . . . 0.0 112.63 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.96 -33.17 73.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.909 0.884 . . . . 0.0 112.702 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -89.82 33.27 0.86 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.975 1.71 . . . . 0.0 111.936 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.77 177.86 49.72 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.023 1.296 . . . . 0.0 113.091 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -70.79 131.05 43.24 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.306 -0.871 . . . . 0.0 111.12 167.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -153.99 143.16 21.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 166.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -140.5 130.03 13.29 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 125.223 1.409 . . . . 0.0 109.586 167.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.77 140.75 14.84 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.625 2.217 . . . . 0.0 112.197 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -77.13 151.41 35.37 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 128.468 2.707 . . . . 0.0 111.139 -10.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.252 1.227 0 C-N-CA 128.206 2.602 . . . . 0.0 114.597 -176.191 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -144.97 162.03 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.861 1.664 . . . . 0.0 110.15 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.54 -22.46 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -165.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 153.7 46.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.001 1.321 . . . . 0.0 111.662 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -97.19 137.42 36.26 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.55 0.74 . . . . 0.0 112.944 -173.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t -75.78 164.47 26.21 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.598 1.159 . . . . 0.0 111.143 161.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.292 1.7 p 56.03 148.24 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 130.522 3.529 . . . . 0.0 118.824 168.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 m -66.4 143.84 56.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 130.42 3.488 . . . . 0.0 111.642 -6.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.3 p -103.58 -149.69 0.41 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 131.11 3.764 . . . . 0.0 112.463 2.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.67 118.48 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.079 1.352 . . . . 0.0 109.306 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -78.83 -46.1 19.41 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -169.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t 59.64 167.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.63 -40.2 62.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.088 1.755 . . . . 0.0 112.717 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.21 -36.14 63.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.726 1.211 . . . . 0.0 113.107 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.88 -32.1 19.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.904 0.481 . . . . 0.0 111.935 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.53 -28.15 69.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.68 -24.95 59.37 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -69.57 -22.85 63.5 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.892 -1.13 . . . . 0.0 113.571 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -75.53 -19.33 59.41 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.472 1.109 . . . . 0.0 112.712 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 m -84.2 -3.07 57.92 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.643 1.577 . . . . 0.0 112.962 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -61.74 151.07 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.103 1.361 . . . . 0.0 111.769 164.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.09 59.08 4.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.222 1.009 . . . . 0.0 112.492 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -134.64 171.3 14.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.539 1.536 . . . . 0.0 110.992 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -65.05 -17.35 64.37 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -161.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.24 43.51 26.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.782 1.633 . . . . 0.0 111.248 -165.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.7 164.83 16.73 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.716 1.606 . . . . 0.0 112.298 -169.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.72 -132.0 51.07 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.578 -0.701 . . . . 0.0 112.143 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -59.26 -26.58 65.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.74 -15.67 53.57 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.06 -52.38 65.63 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.849 0.859 . . . . 0.0 111.507 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.91 -33.83 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.3 -41.56 89.55 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.334 0.654 . . . . 0.0 111.928 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.86 79.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.17 0.588 . . . . 0.0 112.325 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.83 -30.44 69.84 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.746 -1.221 . . . . 0.0 113.556 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.04 -11.87 44.09 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 168.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.49 -42.35 6.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.633 1.173 . . . . 0.0 112.397 170.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.43 -44.63 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.86 0.864 . . . . 0.0 112.281 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.4 m -96.73 -33.36 11.74 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.799 0.84 . . . . 0.0 112.814 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.5 11.97 23.0 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -130.43 76.24 1.71 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.171 1.485 . . . . 0.0 112.115 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -94.16 -53.85 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.13 2.572 . . . . 0.0 111.699 -6.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.9 -112.04 0.21 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 126.647 2.07 . . . . 0.0 115.722 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -139.32 152.1 46.93 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 128.687 2.795 . . . . 0.0 110.263 -6.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -142.05 139.71 32.39 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.155 1.382 . . . . 0.0 111.475 -175.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -104.92 112.41 65.26 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 125.002 1.321 . . . . 0.0 110.961 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -66.1 138.24 51.25 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.207 1.938 . . . . 0.0 112.033 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -118.38 157.54 26.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.177 1.791 . . . . 0.0 111.17 172.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.786 1.634 . . . . 0.0 113.261 176.748 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.5 tp -62.93 145.73 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.104 0.962 . . . . 0.0 112.561 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.9 -36.21 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.397 1.079 . . . . 0.0 113.443 -162.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -134.11 164.58 27.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.901 1.68 . . . . 0.0 110.903 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -144.04 149.14 36.2 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.4 m -76.27 66.82 2.43 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.481 1.912 . . . . 0.0 111.507 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -98.12 -40.07 8.59 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.357 1.063 . . . . 0.0 113.459 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -101.58 -28.27 12.62 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.164 1.386 . . . . 0.0 112.145 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 p -95.45 151.66 19.09 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.328 1.851 . . . . 0.0 112.765 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.25 133.64 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.359 1.464 . . . . 0.0 108.87 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.93 109.88 14.12 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.759 0.824 . . . . 0.0 112.605 -167.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 m -65.27 163.35 15.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.101 0.96 . . . . 0.0 110.887 163.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.54 -33.54 70.01 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 112.831 -177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.91 -36.22 69.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.192 0.997 . . . . 0.0 113.181 171.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -78.22 -39.87 39.14 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.841 0.856 . . . . 0.0 111.125 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.02 -32.55 73.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.865 0.866 . . . . 0.0 112.629 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.87 -17.28 49.44 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.35 -32.38 73.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.819 -1.176 . . . . 0.0 112.257 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -77.22 -3.79 41.44 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.437 1.095 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -78.63 -14.67 59.2 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.223 -0.923 . . . . 0.0 112.246 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 126.777 2.031 . . . . 0.0 113.628 -178.264 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.71 -26.71 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.375 1.47 . . . . 0.0 114.298 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -114.95 15.24 17.3 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.167 1.387 . . . . 0.0 113.56 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -142.99 169.26 17.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.016 1.327 . . . . 0.0 112.694 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -66.69 150.26 49.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.223 1.009 . . . . 0.0 111.246 170.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.06 8.1 11.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -48.39 134.93 14.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.988 1.315 . . . . 0.0 114.549 -168.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.46 -137.3 21.59 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.832 0.73 . . . . 0.0 113.13 -173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -60.52 -33.06 72.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -62.01 -30.13 70.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.99 -48.58 57.64 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.814 0.846 . . . . 0.0 111.78 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 119.176 0.898 . . . . 0.0 111.282 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.6 -38.24 86.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.597 0.635 . . . . 0.0 112.675 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.91 75.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.526 0.603 . . . . 0.0 111.783 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.78 -28.36 65.68 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.919 -1.113 . . . . 0.0 113.559 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -64.31 -11.14 29.12 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 167.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -106.73 -42.08 5.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.432 1.493 . . . . 0.0 112.291 172.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.89 -39.4 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.974 1.31 . . . . 0.0 112.199 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -98.43 -12.18 21.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.637 1.175 . . . . 0.0 113.344 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.35 -151.49 41.88 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.305 0.955 . . . . 0.0 113.38 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.82 164.16 12.87 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.882 0.873 . . . . 0.0 113.228 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -61.22 130.32 45.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.818 0.847 . . . . 0.0 111.006 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.89 -57.61 0.36 Allowed Glycine 0 CA--C 1.538 1.514 0 N-CA-C 115.164 0.825 . . . . 0.0 115.164 -171.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.26 136.27 55.62 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 144.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -73.61 -44.79 56.21 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -168.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p 42.35 67.32 3.48 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 127.059 2.144 . . . . 0.0 115.606 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.72 157.11 52.62 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.41 2.74 . . . . 0.0 112.836 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -134.15 157.3 46.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.336 1.855 . . . . 0.0 111.56 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.139 1.376 . . . . 0.0 112.56 176.632 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 mt -82.35 148.7 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.513 1.125 . . . . 0.0 109.937 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 t 67.29 -25.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 127.469 2.308 . . . . 0.0 114.499 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.62 137.78 57.93 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.531 -1.356 . . . . 0.0 110.748 166.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 59.53 -52.95 0.07 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.069 2.147 . . . . 0.0 114.269 -162.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -78.88 59.49 2.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.188 1.395 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -167.5 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.761 2.424 . . . . 0.0 110.349 162.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -72.43 -28.69 63.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.451 1.1 . . . . 0.0 112.661 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -128.08 163.23 25.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.83 2.052 . . . . 0.0 111.75 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.15 135.62 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.737 1.215 . . . . 0.0 108.918 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 m -110.02 149.24 30.27 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.8 p -82.75 22.44 0.9 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -167.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 62.92 -42.37 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 115.155 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -52.6 -34.85 52.69 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.479 1.512 . . . . 0.0 112.665 168.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -69.9 -27.84 65.12 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.429 -0.794 . . . . 0.0 112.711 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.84 -44.3 64.08 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 169.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.2 -35.9 67.81 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.411 -0.806 . . . . 0.0 112.743 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.19 -21.1 61.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.61 -16.24 62.28 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.7 m -120.81 -19.76 7.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.603 1.561 . . . . 0.0 114.692 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.156 1.382 . . . . 0.0 112.087 -163.447 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 120.637 0.256 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.71 -21.95 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.472 1.509 . . . . 0.0 113.778 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -133.83 13.43 4.01 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.643 1.577 . . . . 0.0 112.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -151.11 157.88 43.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.429 1.891 . . . . 0.0 110.401 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -63.18 153.95 32.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.884 1.274 . . . . 0.0 113.556 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -124.51 144.34 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.946 1.698 . . . . 0.0 108.604 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.79 142.65 30.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.461 1.028 . . . . 0.0 111.023 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.91 -120.67 9.44 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.541 1.067 . . . . 0.0 113.809 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -51.82 -40.82 61.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.229 1.412 . . . . 0.0 113.333 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -67.73 -32.9 73.84 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.454 -0.779 . . . . 0.0 112.661 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -72.56 -41.52 65.66 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.839 -0.538 . . . . 0.0 111.9 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.04 -33.97 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.047 -1.033 . . . . 0.0 111.97 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.87 -30.7 71.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.44 -0.788 . . . . 0.0 112.506 168.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.08 75.88 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.392 -0.818 . . . . 0.0 112.209 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.27 -31.4 72.53 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.905 -1.122 . . . . 0.0 112.893 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.35 -14.95 21.32 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.23 -45.33 4.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.311 1.444 . . . . 0.0 112.622 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.08 -44.57 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 112.127 -173.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.46 -23.49 13.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.044 1.338 . . . . 0.0 112.847 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.28 -19.81 19.01 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.925 1.726 . . . . 0.0 117.063 -171.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.05 -16.5 44.4 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.745 1.273 . . . . 0.0 113.721 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -78.88 9.76 3.97 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.417 1.487 . . . . 0.0 113.964 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.27 29.85 32.4 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.601 1.096 . . . . 0.0 113.181 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' DHI . . . . . 0.61 ' HD1' ' NZ ' ' B' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.87 151.86 28.92 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.734 -0.604 . . . . 0.0 110.034 160.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.84 132.29 49.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 111.517 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -50.69 139.39 21.36 Favored Pre-proline 0 N--CA 1.482 1.128 1 C-N-CA 131.847 4.059 . . . . 0.0 114.684 1.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.88 156.48 43.54 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.214 2.609 . . . . 0.0 114.028 -162.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HD1' ' B' ' 24' ' ' DHI . 5.3 ptpp? -68.58 155.9 39.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.422 1.089 . . . . 0.0 112.74 172.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.805 1.642 . . . . 0.0 113.262 177.74 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.5 tt -119.9 -27.96 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 128.592 2.757 . . . . 0.0 113.359 4.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -6.76 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.568 -1.333 . . . . 0.0 112.15 176.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.08 -13.96 61.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.693 1.597 . . . . 0.0 113.805 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.35 -177.75 6.3 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.676 1.19 . . . . 0.0 113.034 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.9 m 64.5 23.94 13.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.86 1.664 . . . . 0.0 114.832 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 m -103.45 144.71 31.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.882 2.073 . . . . 0.0 109.546 167.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m 64.22 -35.65 0.17 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 127.196 2.198 . . . . 0.0 115.468 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -119.62 152.73 36.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.576 1.95 . . . . 0.0 111.12 170.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.22 128.36 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.585 1.154 . . . . 0.0 109.742 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.1 m -77.67 150.36 34.54 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.266 1.026 . . . . 0.0 113.054 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -89.1 168.93 11.93 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.828 1.251 . . . . 0.0 112.661 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.0 tp -55.08 -41.35 71.43 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.997 0.919 . . . . 0.0 112.055 170.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.13 -36.6 82.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.299 1.04 . . . . 0.0 112.485 176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.36 -41.61 84.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.121 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.19 -32.47 73.93 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.21 -19.38 65.3 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.77 -16.72 60.08 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.896 -1.128 . . . . 0.0 113.453 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -79.79 -15.31 57.7 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.517 1.127 . . . . 0.0 113.507 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.83 8.03 7.59 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -155.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.465 1.506 . . . . 0.0 112.472 168.711 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.74 136.94 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.341 -0.849 . . . . 0.0 113.192 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -69.31 163.95 23.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.798 2.039 . . . . 0.0 112.181 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.74 -179.63 1.86 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.645 3.578 . . . . 0.0 113.462 -0.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -45.84 131.5 9.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.551 1.54 . . . . 0.0 112.078 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.46 -14.01 57.54 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -165.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -22.74 -45.73 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.904 3.681 . . . . 0.0 118.557 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.43 -140.72 3.07 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.991 1.281 . . . . 0.0 114.115 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -66.29 -19.89 65.95 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.362 -1.081 . . . . 0.0 113.648 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -55.13 -36.38 65.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.533 1.533 . . . . 0.0 111.882 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.16 -56.3 17.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.123 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.81 -31.9 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.034 0.833 . . . . 0.0 112.308 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.65 -42.8 98.06 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.21 0.604 . . . . 0.0 111.916 168.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.76 76.0 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.733 0.813 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -57.94 -43.06 86.09 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.703 1.138 . . . . 0.0 111.513 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.59 -19.23 65.83 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.98 -14.24 45.19 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 112.993 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -107.75 -34.06 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.732 1.613 . . . . 0.0 112.364 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -140.74 147.28 38.92 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.701 1.6 . . . . 0.0 112.427 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.16 171.44 42.31 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.282 2.372 . . . . 0.0 111.459 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' HA ' ' HD1' ' B' ' 24' ' ' DHI . 12.3 pt-20 -137.54 27.9 2.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 129.063 2.945 . . . . 0.0 112.194 1.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -80.28 63.63 4.82 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.129 1.772 . . . . 0.0 112.98 -170.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.73 -15.71 50.38 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.839 1.685 . . . . 0.0 115.671 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' DHI . . . . . 0.471 ' HD1' ' HA ' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 142.45 34.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.367 1.467 . . . . 0.0 112.434 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -146.17 119.76 9.14 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.486 1.114 . . . . 0.0 110.369 164.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -122.74 85.4 49.49 Favored Pre-proline 0 N--CA 1.472 0.671 0 C-N-CA 124.889 1.275 . . . . 0.0 110.745 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.88 116.63 4.76 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.382 2.721 . . . . 0.0 112.544 -172.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -133.91 137.06 44.68 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.436 3.094 . . . . 0.0 109.598 -12.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.182 1.393 . . . . 0.0 110.998 174.76 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -142.17 155.11 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.289 1.436 . . . . 0.0 111.065 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.98 -22.92 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -165.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.75 156.97 46.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.413 1.485 . . . . 0.0 111.256 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -125.66 148.64 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.942 1.297 . . . . 0.0 112.606 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.65 42.2 1.0 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.351 1.46 . . . . 0.0 113.469 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.34 147.12 23.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.087 1.755 . . . . 0.0 111.836 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p 60.45 -47.08 0.1 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 129.097 2.959 . . . . 0.0 116.202 -178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 p -96.74 151.89 19.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.534 1.534 . . . . 0.0 111.858 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.6 mt -96.64 133.59 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 -171.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.42 118.6 31.52 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.166 0.987 . . . . 0.0 111.689 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -79.24 165.5 23.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.258 1.023 . . . . 0.0 110.761 163.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.35 -31.31 67.47 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.222 -0.924 . . . . 0.0 112.812 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -55.33 -35.28 64.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.666 1.186 . . . . 0.0 113.46 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -74.45 -33.41 62.91 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.202 -0.936 . . . . 0.0 111.41 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.03 -38.1 75.77 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.292 0.637 . . . . 0.0 111.042 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.07 -30.59 71.65 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.092 -1.005 . . . . 0.0 112.633 169.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -66.96 -29.56 69.45 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.114 -0.992 . . . . 0.0 112.622 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -77.58 -29.46 52.09 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.171 0.896 . . . . 0.0 112.424 168.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.95 -34.68 73.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.414 1.085 . . . . 0.0 113.077 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.028 1.331 . . . . 0.0 112.128 178.732 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.06 -47.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 128.632 2.773 . . . . 0.0 116.124 168.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.64 -0.79 10.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.729 2.012 . . . . 0.0 113.331 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -138.25 139.77 39.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.608 1.563 . . . . 0.0 111.224 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -64.36 154.34 35.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.043 1.337 . . . . 0.0 112.802 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -129.29 24.8 5.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.273 1.429 . . . . 0.0 112.848 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.85 149.75 47.55 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.702 -1.249 . . . . 0.0 114.209 -172.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.61 -138.64 21.93 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.824 1.202 . . . . 0.0 112.375 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -60.06 -25.8 65.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -59.14 -21.65 59.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.004 0.922 . . . . 0.0 113.143 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.25 -44.9 43.45 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.345 0.975 . . . . 0.0 112.203 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.51 -37.42 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 118.898 0.772 . . . . 0.0 111.155 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.22 -29.58 70.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 -42.16 37.06 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 112.273 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.72 -24.75 67.05 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.338 -0.851 . . . . 0.0 112.806 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.26 -33.57 53.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.594 1.088 . . . . 0.0 112.727 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.67 -21.23 24.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.211 1.404 . . . . 0.0 113.096 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.34 -31.03 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.205 1.402 . . . . 0.0 112.861 -168.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -141.74 -32.26 0.53 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -173.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.43 -132.19 52.43 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.246 0.927 . . . . 0.0 112.416 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.69 20.73 14.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.535 1.534 . . . . 0.0 112.945 172.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -133.25 -16.51 2.43 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.84 -18.45 75.13 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.805 1.184 . . . . 0.0 115.319 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -92.34 151.43 20.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.895 1.278 . . . . 0.0 109.603 155.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -112.85 141.72 46.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.762 0.825 . . . . 0.0 111.306 168.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -137.46 137.24 21.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 124.107 0.963 . . . . 0.0 110.393 166.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.98 -5.25 14.46 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.195 2.597 . . . . 0.0 112.614 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? 64.99 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 129.34 3.056 . . . . 0.0 114.667 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.246 0 C-N-CA 126.761 2.024 . . . . 0.0 113.986 -176.575 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' H ' ' A' ' 4' ' ' GLU . 10.6 tp -138.4 144.43 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.685 1.194 . . . . 0.0 111.155 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -95.49 0.27 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.305 1.442 . . . . 0.0 114.299 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' H ' HG13 ' A' ' 2' ' ' ILE . 45.6 mt-10 -132.28 156.78 45.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.608 1.963 . . . . 0.0 110.738 176.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -134.48 166.22 23.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.867 1.267 . . . . 0.0 111.57 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -51.25 -52.64 42.87 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -166.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.11 -36.74 3.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.642 3.577 . . . . 0.0 112.128 -7.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -81.69 -12.89 58.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.193 1.397 . . . . 0.0 114.064 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -107.42 -178.46 3.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.93 1.692 . . . . 0.0 111.425 169.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -91.19 -17.26 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.998 0.919 . . . . 0.0 112.024 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.5 m 61.25 146.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.398 2.679 . . . . 0.0 116.477 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -81.5 155.71 25.65 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.738 1.215 . . . . 0.0 110.629 164.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.68 -31.74 69.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.662 0.785 . . . . 0.0 112.923 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -55.14 -37.17 66.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.32 1.048 . . . . 0.0 113.128 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.61 -33.76 76.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.535 -0.728 . . . . 0.0 111.395 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.61 -37.36 62.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.426 1.09 . . . . 0.0 110.8 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.35 -28.03 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.98 -1.075 . . . . 0.0 113.053 172.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -63.9 -29.15 70.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.771 1.169 . . . . 0.0 112.589 170.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.79 -31.06 35.88 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.967 0.907 . . . . 0.0 112.333 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.03 -35.79 77.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.557 1.143 . . . . 0.0 112.606 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 124.71 1.204 . . . . 0.0 112.407 179.516 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 1.4 p 55.34 -19.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 130.514 3.525 . . . . 0.0 118.758 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.98 -10.19 4.33 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.816 1.646 . . . . 0.0 114.347 -174.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -140.66 136.97 33.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.56 1.544 . . . . 0.0 109.522 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -64.02 142.24 58.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.226 1.41 . . . . 0.0 111.724 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.85 -18.53 34.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -73.13 -20.24 60.97 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -163.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -65.21 3.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.258 0.932 . . . . 0.0 113.613 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -151.02 13.71 0.7 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.787 1.235 . . . . 0.0 113.036 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -113.65 -22.6 10.17 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -156.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.2 -36.63 68.62 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.412 1.485 . . . . 0.0 112.946 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 m -68.01 -38.03 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.255 0.622 . . . . 0.0 112.4 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.6 -39.6 64.47 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 111.103 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.62 94.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.128 0.571 . . . . 0.0 111.591 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.61 -33.83 73.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.291 -0.861 . . . . 0.0 113.197 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -61.36 -39.11 89.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.133 1.333 . . . . 0.0 112.448 168.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.92 -30.91 58.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -88.23 -38.84 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.918 1.287 . . . . 0.0 112.383 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.6 t -85.79 -27.26 25.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.973 . . . . 0.0 113.247 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 148.08 42.35 Favored Glycine 0 CA--C 1.542 1.721 0 O-C-N 121.201 -0.937 . . . . 0.0 112.352 169.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.57 0.38 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.28 2.632 . . . . 0.0 113.603 1.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -67.5 -31.7 72.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.662 1.185 . . . . 0.0 113.374 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.76 162.46 33.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.292 1.425 . . . . 0.0 114.286 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -136.07 147.09 47.7 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.144 1.378 . . . . 0.0 111.389 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -154.4 141.37 19.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.993 1.317 . . . . 0.0 111.81 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.9 p -133.02 138.06 30.96 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 123.737 0.815 . . . . 0.0 110.895 156.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.2 156.57 51.14 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.875 2.384 . . . . 0.0 112.724 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 10.0 34.15 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 128.954 2.902 . . . . 0.0 115.243 3.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.485 1.303 0 C-N-CA 127.709 2.404 . . . . 0.0 113.236 -167.668 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 mt -102.85 156.01 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 128.756 2.823 . . . . 0.0 109.908 1.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.339 17.1 m 55.58 16.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 127.835 2.454 . . . . 0.0 115.876 -172.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.08 128.63 36.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.328 163.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -70.43 141.4 52.11 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.551 0.74 . . . . 0.0 112.961 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -80.83 54.78 2.23 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.088 1.355 . . . . 0.0 111.042 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.38 -33.49 19.12 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.779 1.232 . . . . 0.0 113.61 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -86.99 -41.04 14.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.942 0.897 . . . . 0.0 111.707 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -123.24 150.87 42.91 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.947 1.299 . . . . 0.0 112.199 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.29 137.37 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.633 1.173 . . . . 0.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.74 93.44 4.32 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 122.173 0.987 . . . . 0.0 109.794 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -78.95 37.22 0.3 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.9 2.48 . . . . 0.0 114.569 -171.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt 64.13 -50.56 0.28 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.218 2.607 . . . . 0.0 113.534 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -50.72 -36.23 35.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.448 1.899 . . . . 0.0 113.438 172.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -65.57 -26.76 68.01 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.97 0.908 . . . . 0.0 113.012 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.1 mt -77.82 -27.15 49.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.492 1.117 . . . . 0.0 113.126 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.3 -23.13 55.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.54 1.136 . . . . 0.0 113.472 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -57.84 -25.84 61.23 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.668 1.187 . . . . 0.0 112.994 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CE1' ' HA3' ' A' ' 1' ' ' GLY . 25.2 m-85 -99.5 12.72 35.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 114.299 -175.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.76 1.73 29.13 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.465 1.106 . . . . 0.0 113.981 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 111.061 179.248 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t 48.44 32.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 126.944 2.098 . . . . 0.0 113.888 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 49.21 47.65 21.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.102 1.761 . . . . 0.0 113.459 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.85 161.23 14.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.996 1.319 . . . . 0.0 113.908 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -77.54 95.87 4.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.584 1.154 . . . . 0.0 109.504 159.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.17 85.37 2.39 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.894 0.854 . . . . 0.0 110.363 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.72 131.54 41.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.518 1.527 . . . . 0.0 111.227 -164.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.25 -27.94 0.56 Allowed Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.708 1.623 . . . . 0.0 115.445 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -152.68 -179.49 7.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.069 2.148 . . . . 0.0 110.787 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t60 64.56 -32.63 0.14 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 128.534 2.734 . . . . 0.0 116.745 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -43.98 81.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.472 1.487 . . . . 0.0 113.738 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -36.0 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.754 -0.591 . . . . 0.0 112.113 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.694 0.798 . . . . 0.0 111.214 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.39 98.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.099 0.56 . . . . 0.0 111.742 172.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.59 -33.58 74.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.026 -1.046 . . . . 0.0 113.516 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.46 -33.26 75.18 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.796 1.18 . . . . 0.0 112.649 169.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -81.87 -35.02 29.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.428 1.091 . . . . 0.0 113.283 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.89 -36.57 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.075 1.35 . . . . 0.0 112.09 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -124.34 50.65 1.66 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.768 1.627 . . . . 0.0 112.836 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.28 -158.12 27.52 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 118.071 -2.893 . . . . 0.0 112.28 9.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.12 -17.49 53.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.868 1.267 . . . . 0.0 113.768 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -136.17 28.81 3.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.331 1.452 . . . . 0.0 113.39 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.64 -161.62 52.6 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.689 1.138 . . . . 0.0 114.33 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.89 157.29 38.4 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 113.664 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -56.85 -38.43 72.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.793 2.037 . . . . 0.0 113.847 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.3 m 58.0 78.51 0.36 Allowed Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 125.75 1.62 . . . . 0.0 112.064 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.06 150.69 85.12 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.455 2.77 . . . . 0.0 112.538 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -128.99 22.51 5.74 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.469 1.507 . . . . 0.0 113.439 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.485 1.312 0 C-N-CA 127.768 2.427 . . . . 0.0 112.916 -175.391 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.97 -25.39 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.29 117.07 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.021 0.928 . . . . 0.0 111.527 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -154.76 152.79 30.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.353 1.861 . . . . 0.0 110.507 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 -17.24 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 127.521 2.329 . . . . 0.0 116.595 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.35 140.67 23.2 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.865 1.666 . . . . 0.0 110.277 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.9 p -80.91 8.96 7.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.14 2.576 . . . . 0.0 114.635 -0.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -57.84 -29.38 64.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.67 1.588 . . . . 0.0 113.899 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -128.63 166.69 18.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.965 1.706 . . . . 0.0 110.675 166.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -80.51 78.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 108.532 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -68.75 153.55 43.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -168.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.5 p -92.77 166.89 12.22 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.342 1.457 . . . . 0.0 112.453 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.4 mt -58.56 -33.25 69.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.72 0.808 . . . . 0.0 112.378 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -62.46 -37.37 85.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.823 1.249 . . . . 0.0 112.572 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.81 -38.61 70.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.592 -0.692 . . . . 0.0 111.448 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.08 -26.89 67.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.23 -23.3 63.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.6 1.091 . . . . 0.0 113.895 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -64.93 -22.18 66.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.297 -0.877 . . . . 0.0 113.192 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -81.73 -18.46 44.23 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.303 1.041 . . . . 0.0 113.064 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.8 m -81.11 -19.36 43.77 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -167.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 124.111 0.964 . . . . 0.0 111.824 -179.536 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.58 151.0 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.432 1.493 . . . . 0.0 110.794 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.25 42.33 0.81 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.848 1.259 . . . . 0.0 113.319 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.82 164.86 32.33 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.22 1.408 . . . . 0.0 112.225 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -55.26 129.45 38.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.344 1.058 . . . . 0.0 110.507 169.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.76 13.89 1.95 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -152.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.06 166.7 22.95 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.934 -1.104 . . . . 0.0 112.006 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 40.16 8.07 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.665 -0.647 . . . . 0.0 112.532 -165.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m 64.32 -1.98 0.67 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.701 2.4 . . . . 0.0 117.087 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.47 -35.99 79.18 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.181 1.355 . . . . 0.0 112.393 175.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.43 -37.18 86.61 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.432 1.093 . . . . 0.0 112.052 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -69.46 -47.96 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.455 0.702 . . . . 0.0 110.258 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.94 -37.22 83.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.543 0.737 . . . . 0.0 112.282 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -51.81 59.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.991 0.916 . . . . 0.0 111.658 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.14 -35.06 79.03 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.227 -0.921 . . . . 0.0 112.813 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.58 -20.51 64.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.29 -35.14 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.084 1.353 . . . . 0.0 113.068 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.7 -40.65 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.077 1.351 . . . . 0.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -88.51 -44.75 10.46 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.161 0.584 . . . . 0.0 112.2 175.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.56 -114.87 4.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.565 0.603 . . . . 0.0 112.625 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -100.37 -10.94 20.69 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.341 1.457 . . . . 0.0 113.956 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 150.76 21.96 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.744 -1.223 . . . . 0.0 114.144 -173.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.38 -9.88 7.04 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.668 1.604 . . . . 0.0 116.915 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 50.94 -142.32 0.71 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.057 1.743 . . . . 0.0 113.518 171.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -144.01 149.71 37.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.27 1.828 . . . . 0.0 111.659 -174.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -137.8 125.51 13.99 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 0.0 110.506 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.77 156.97 52.65 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.09 2.527 . . . . 0.0 112.46 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -133.65 155.24 50.05 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.923 1.689 . . . . 0.0 111.729 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.254 1.324 0 C-N-CA 125.817 1.647 . . . . 0.0 113.707 177.066 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 pp -77.55 170.26 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.3 1.04 . . . . 0.0 113.119 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.08 151.65 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.763 1.625 . . . . 0.0 111.304 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.41 44.91 0.73 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.027 1.331 . . . . 0.0 112.246 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -129.6 -81.18 0.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -164.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m 49.4 54.78 10.39 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.171 0.896 . . . . 0.0 113.008 -157.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -121.2 -11.78 8.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.908 1.283 . . . . 0.0 114.43 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -70.18 -33.65 72.0 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.265 -0.897 . . . . 0.0 111.033 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -153.31 164.4 38.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.863 2.065 . . . . 0.0 110.919 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -81.19 103.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -81.37 149.42 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -172.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -76.46 154.08 35.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.751 1.22 . . . . 0.0 111.987 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.69 -27.03 68.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.431 -0.793 . . . . 0.0 112.175 173.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.85 -36.13 82.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.438 -0.789 . . . . 0.0 112.39 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.27 -35.88 74.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.386 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.3 mt -64.83 -39.45 93.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.09 -20.51 62.69 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.755 -1.216 . . . . 0.0 113.557 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.23 -6.24 58.64 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.3 -39.97 64.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.857 1.208 . . . . 0.0 111.281 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -87.66 78.99 8.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 123.67 1.7 . . . . 0.0 111.958 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.92 -178.596 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -143.79 139.29 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.285 1.434 . . . . 0.0 110.873 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 53.97 26.83 6.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.795 1.638 . . . . 0.0 114.638 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -145.24 156.94 44.14 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.106 1.362 . . . . 0.0 112.662 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -69.15 152.92 44.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.431 1.092 . . . . 0.0 110.823 164.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -120.14 -5.56 9.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 -162.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 p -61.63 140.11 58.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.377 1.444 . . . . 0.0 113.022 -169.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.37 -145.06 18.81 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.746 0.688 . . . . 0.0 111.843 -160.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -63.42 -31.36 72.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -64.14 -35.7 81.64 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.153 0.888 . . . . 0.0 113.106 -174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.84 -39.88 79.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.422 1.089 . . . . 0.0 110.89 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -67.95 -45.11 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.65 0.78 . . . . 0.0 110.701 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.74 -40.72 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.609 -0.682 . . . . 0.0 112.079 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.43 80.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.961 0.504 . . . . 0.0 111.52 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.07 -30.65 69.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.075 -1.016 . . . . 0.0 113.287 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -66.21 -11.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.87 -32.53 6.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.926 1.29 . . . . 0.0 113.169 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -82.89 -40.6 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.103 1.361 . . . . 0.0 111.966 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.8 m -110.31 -6.42 15.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 113.797 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.38 154.21 26.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.072 1.32 . . . . 0.0 114.372 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.84 -5.15 49.91 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -78.03 57.12 1.72 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.043 1.737 . . . . 0.0 111.433 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.46 -65.46 1.69 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.754 1.645 . . . . 0.0 111.972 -168.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.606 ' H ' ' HA ' ' B' ' 26' ' ' TYR . 9.6 t80 -145.56 -45.15 0.21 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.237 1.415 . . . . 0.0 114.482 -167.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.606 ' HA ' ' H ' ' B' ' 25' ' ' PHE . 83.2 t80 -83.86 150.13 25.92 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 130.251 3.421 . . . . 0.0 112.764 -12.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.5 t -146.23 131.49 9.14 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.967 1.307 . . . . 0.0 109.722 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.78 154.66 34.42 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.187 2.591 . . . . 0.0 112.994 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -70.95 148.28 47.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.542 1.137 . . . . 0.0 111.705 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.325 1.45 . . . . 0.0 112.848 168.829 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.108 -0.829 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.268 24.8 pt 42.98 -149.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 127.11 2.164 . . . . 0.0 113.69 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.7 -26.83 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -144.97 146.64 32.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.574 1.95 . . . . 0.0 110.404 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.83 159.09 42.96 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -171.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.69 65.86 0.71 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.342 1.857 . . . . 0.0 113.013 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -136.22 -36.14 0.74 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.373 1.869 . . . . 0.0 111.903 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -69.26 -28.9 66.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.723 1.209 . . . . 0.0 111.951 174.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.82 170.03 19.72 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.162 1.785 . . . . 0.0 111.076 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -89.69 130.2 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.526 1.53 . . . . 0.0 109.34 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.6 m -97.29 137.21 36.65 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -75.0 158.51 33.12 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.504 1.121 . . . . 0.0 111.278 165.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.3 mm? -61.02 -34.69 75.23 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.211 -0.931 . . . . 0.0 112.112 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.27 -37.82 78.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.787 0.835 . . . . 0.0 112.407 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.02 -40.3 71.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.211 0.605 . . . . 0.0 110.529 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.02 -34.2 77.85 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.04 -33.09 74.78 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.03 -1.044 . . . . 0.0 113.045 171.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.36 -25.58 67.64 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.19 -31.75 72.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.331 1.052 . . . . 0.0 112.97 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 t -94.2 -34.89 12.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.532 1.133 . . . . 0.0 112.967 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 124.808 1.243 . . . . 0.0 112.131 -178.88 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 p90 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -85.66 -21.68 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.733 1.213 . . . . 0.0 112.454 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -125.33 9.57 7.91 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.239 1.815 . . . . 0.0 113.862 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -148.23 160.58 42.8 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.393 1.477 . . . . 0.0 112.036 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -72.68 155.13 40.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.358 1.063 . . . . 0.0 110.762 166.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.6 -62.05 1.48 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.969 0.908 . . . . 0.0 110.556 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.0 m 62.26 -129.31 0.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.31 1.844 . . . . 0.0 113.637 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.83 -6.48 67.45 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.099 1.333 . . . . 0.0 115.396 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -125.43 179.52 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.321 1.848 . . . . 0.0 109.754 168.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.0 m80 62.34 -34.16 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.726 2.41 . . . . 0.0 117.484 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.29 -55.2 37.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.465 1.506 . . . . 0.0 113.477 -162.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -39.6 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 122.012 -0.43 . . . . 0.0 111.248 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.63 -49.62 62.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.335 0.654 . . . . 0.0 111.7 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -42.76 93.14 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.319 1.048 . . . . 0.0 111.967 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.12 -38.1 87.37 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.719 -0.613 . . . . 0.0 111.894 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -72.53 -36.47 68.32 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.0 -42.52 94.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 112.23 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.14 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.83 0.852 . . . . 0.0 111.622 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.64 0.85 18.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 170.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.99 -46.78 2.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.553 2.025 . . . . 0.0 114.585 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -125.38 161.42 27.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.878 1.671 . . . . 0.0 112.265 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -70.71 159.61 34.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.214 1.005 . . . . 0.0 112.104 172.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.36 -178.21 53.47 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.428 1.013 . . . . 0.0 113.078 -169.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -74.27 153.22 39.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.129 0.972 . . . . 0.0 111.156 162.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -139.54 -63.05 0.52 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.629 1.172 . . . . 0.0 113.076 -175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.306 11.6 t 50.3 125.57 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 128.86 2.864 . . . . 0.0 115.791 -161.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.51 160.06 47.57 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.003 2.469 . . . . 0.0 112.118 174.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -71.13 147.49 48.36 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.471 1.108 . . . . 0.0 111.795 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.629 1.571 . . . . 0.0 111.649 168.532 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -73.24 -30.56 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.215 1.006 . . . . 0.0 113.402 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -75.71 135.16 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.904 1.282 . . . . 0.0 111.521 -170.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -76.95 -42.75 37.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.59 2.356 . . . . 0.0 111.967 -6.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -146.54 160.4 42.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.623 1.969 . . . . 0.0 110.074 169.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.2 t -69.26 95.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.697 -0.627 . . . . 0.0 109.428 164.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.2 -25.19 1.37 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -163.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -73.63 -39.45 64.52 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.191 -0.943 . . . . 0.0 111.212 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.6 m -130.42 156.21 45.13 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.373 1.869 . . . . 0.0 110.515 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 10' ' ' ILE . 2.4 mp -75.33 118.76 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.05 129.32 39.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.241 0.543 . . . . 0.0 111.959 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -68.02 157.21 35.65 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.998 0.919 . . . . 0.0 110.844 165.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.84 -30.37 67.62 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.145 -0.972 . . . . 0.0 112.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -59.83 -35.58 75.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.073 0.949 . . . . 0.0 112.786 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -77.55 -34.31 53.86 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.397 -0.814 . . . . 0.0 110.963 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.53 -42.92 91.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.489 0.316 . . . . 0.0 111.008 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.8 -34.23 71.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.453 1.101 . . . . 0.0 112.419 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.06 -24.01 65.93 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.338 -0.851 . . . . 0.0 112.955 173.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -80.91 -33.26 34.3 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.563 1.074 . . . . 0.0 112.178 168.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.7 m -74.89 -20.76 59.58 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.346 1.858 . . . . 0.0 110.651 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.27 129.46 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.431 -0.793 . . . . 0.0 112.915 -166.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -141.23 111.32 6.69 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.418 1.487 . . . . 0.0 109.382 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.51 145.7 54.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.151 2.58 . . . . 0.0 112.491 -1.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -149.5 19.46 0.93 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.226 3.01 . . . . 0.0 113.703 -0.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt 46.77 -133.1 1.11 Allowed 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.251 -0.905 . . . . 0.0 110.48 -149.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t 55.12 -177.12 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.872 1.669 . . . . 0.0 113.451 -168.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.71 -138.85 43.65 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.736 1.16 . . . . 0.0 113.207 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -68.32 -30.95 70.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.536 0.734 . . . . 0.0 112.841 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -70.72 -29.7 66.03 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.934 -1.103 . . . . 0.0 113.169 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.42 -45.42 91.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.612 0.642 . . . . 0.0 112.338 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.63 -36.48 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.777 -0.577 . . . . 0.0 111.456 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.81 -31.09 72.15 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.07 -48.11 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.108 0.867 . . . . 0.0 111.601 168.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.82 -29.88 71.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.269 -0.894 . . . . 0.0 113.006 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -56.01 -27.75 54.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.485 1.114 . . . . 0.0 113.11 172.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.28 -46.32 5.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.811 1.244 . . . . 0.0 111.928 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.47 -38.7 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.859 0.863 . . . . 0.0 111.7 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.15 6.45 11.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.99 -16.57 52.93 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.118 -0.989 . . . . 0.0 113.924 169.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -77.13 -14.28 59.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.867 1.267 . . . . 0.0 113.49 170.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 48.68 52.86 13.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.098 2.159 . . . . 0.0 113.862 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.51 10.34 37.66 Favored Glycine 0 CA--C 1.54 1.62 0 N-CA-C 116.622 1.409 . . . . 0.0 116.622 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -138.17 148.99 45.43 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.253 1.821 . . . . 0.0 110.083 167.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -148.22 156.14 42.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 111.034 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -115.64 78.33 6.72 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 126.601 1.961 . . . . 0.0 111.034 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.68 141.23 71.68 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.815 2.343 . . . . 0.0 111.656 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -107.36 19.68 19.96 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.329 1.451 . . . . 0.0 113.818 -172.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.92 2.088 . . . . 0.0 111.772 -179.317 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.48 151.85 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.084 0.954 . . . . 0.0 110.763 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.07 166.98 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.716 1.206 . . . . 0.0 112.028 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.19 64.07 3.25 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.074 -1.016 . . . . 0.0 112.15 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -58.05 -31.48 67.08 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.002 -1.062 . . . . 0.0 112.106 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.9 m -70.51 -2.93 15.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.976 1.311 . . . . 0.0 114.022 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.19 -26.23 39.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.723 1.209 . . . . 0.0 112.96 175.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -121.08 -38.54 2.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.201 1.4 . . . . 0.0 112.846 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 m -94.4 154.79 17.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -95.53 110.28 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 114.61 15.97 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.806 0.843 . . . . 0.0 112.128 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -66.89 161.74 23.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 111.03 165.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -40.86 76.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.518 1.127 . . . . 0.0 111.193 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.76 -36.8 74.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.64 1.176 . . . . 0.0 113.121 172.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -75.08 -32.92 61.6 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.067 -1.021 . . . . 0.0 112.049 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.82 -37.31 87.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.072 0.396 . . . . 0.0 111.636 170.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.29 -30.19 71.38 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.027 -1.046 . . . . 0.0 112.543 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.6 -8.42 47.26 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -74.19 -19.38 60.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.349 0.977 . . . . 0.0 112.618 165.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.2 m -119.05 -21.59 7.6 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.122 1.769 . . . . 0.0 112.939 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.331 2.253 . . . . 0.0 112.712 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.67 -26.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.136 1.374 . . . . 0.0 113.663 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -82.0 -21.25 37.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.488 1.115 . . . . 0.0 113.766 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -139.1 169.11 18.39 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.762 1.625 . . . . 0.0 111.334 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -61.59 143.21 56.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.26 121.36 40.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.68 1.592 . . . . 0.0 108.518 173.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -156.26 136.45 12.91 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.45 -39.08 0.72 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.375 1.941 . . . . 0.0 114.889 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -135.27 167.65 20.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.81 2.444 . . . . 0.0 110.699 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 63.42 -28.87 0.09 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.264 2.626 . . . . 0.0 117.676 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.3 tp -56.15 -47.48 78.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.269 1.395 . . . . 0.0 112.228 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.45 -36.47 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 123.276 0.63 . . . . 0.0 112.269 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.91 -44.91 68.71 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 111.082 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.74 89.56 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.578 0.751 . . . . 0.0 111.53 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -66.61 -41.77 87.89 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.58 -30.09 70.3 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.36 0.982 . . . . 0.0 113.174 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.76 -36.14 50.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.825 0.85 . . . . 0.0 112.849 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.66 -46.6 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.855 1.262 . . . . 0.0 111.208 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -91.67 53.61 2.28 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.885 1.274 . . . . 0.0 111.229 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.01 -30.03 69.26 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.784 1.183 . . . . 0.0 115.274 -170.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -80.28 64.76 5.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.503 1.121 . . . . 0.0 109.536 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -68.94 145.13 53.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -162.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.0 139.63 5.08 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.293 1.902 . . . . 0.0 110.443 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.2 t80 63.06 -41.03 0.19 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.451 2.701 . . . . 0.0 115.663 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 64.55 -50.14 0.31 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.539 3.136 . . . . 0.0 118.316 160.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.1 p 44.05 69.22 2.53 Favored Pre-proline 0 N--CA 1.484 1.226 0 C-N-CA 127.515 2.326 . . . . 0.0 115.218 171.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.07 -13.98 21.11 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.623 2.882 . . . . 0.0 115.045 -172.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 60.18 175.17 0.09 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.954 2.102 . . . . 0.0 113.987 -171.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 126.353 1.861 . . . . 0.0 110.918 -179.605 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 3' ' ' VAL . 3.4 mm 60.75 169.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.367 1.867 . . . . 0.0 112.575 -170.149 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' H ' HG22 ' A' ' 2' ' ' ILE . 14.7 p -138.65 143.85 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.716 1.606 . . . . 0.0 110.6 174.491 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -78.79 51.2 1.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.822 1.249 . . . . 0.0 114.172 -173.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.1 -20.68 55.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.7 1.2 . . . . 0.0 113.124 177.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.01 -3.0 6.07 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 172.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.56 -24.83 61.17 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.808 -1.183 . . . . 0.0 112.861 169.016 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -126.6 -35.21 2.36 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.248 1.419 . . . . 0.0 113.366 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -90.98 176.12 6.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.24 1.416 . . . . 0.0 110.828 162.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -117.87 138.41 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.602 1.161 . . . . 0.0 110.251 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -132.21 166.63 21.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.927 1.691 . . . . 0.0 112.326 -172.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -137.87 178.8 6.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.002 1.321 . . . . 0.0 111.669 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.86 -42.98 38.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.124 1.77 . . . . 0.0 112.925 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -57.87 -34.89 70.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.332 1.053 . . . . 0.0 113.413 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -80.02 -41.22 26.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.66 0.784 . . . . 0.0 111.125 176.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -26.8 67.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -58.12 -29.07 65.23 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.245 -0.91 . . . . 0.0 113.187 170.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -16.0 62.8 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.868 1.213 . . . . 0.0 113.552 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.04 -13.91 59.89 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.924 1.29 . . . . 0.0 113.414 175.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.96 -40.94 0.22 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -170.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 111.655 179.734 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.278 5.6 p 53.61 -44.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 1 C-N-CA 132.437 4.295 . . . . 0.0 118.471 168.472 . . . . . . . . 3 2 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -122.42 -7.71 8.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.88 2.072 . . . . 0.0 112.714 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -133.83 150.14 51.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.987 1.315 . . . . 0.0 113.131 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -66.75 157.14 33.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.669 1.987 . . . . 0.0 113.24 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -137.07 121.96 18.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.648 1.579 . . . . 0.0 109.919 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -142.78 149.64 38.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.552 1.141 . . . . 0.0 111.403 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.46 -132.44 42.98 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 123.836 0.731 . . . . 0.0 113.673 175.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.04 -33.81 67.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.239 1.016 . . . . 0.0 113.563 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -69.03 -34.31 75.02 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.408 -0.807 . . . . 0.0 112.11 177.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -38.06 73.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.121 0.568 . . . . 0.0 111.56 171.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.64 -44.85 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.096 0.862 . . . . 0.0 111.174 174.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.98 -42.72 97.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.501 -0.75 . . . . 0.0 112.189 174.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.62 90.55 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.52 -0.738 . . . . 0.0 112.587 175.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.83 -38.33 86.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.024 0.93 . . . . 0.0 111.963 174.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -70.14 -26.04 63.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.41 -34.47 76.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.489 1.116 . . . . 0.0 112.933 169.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.4 t -92.4 -46.04 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.743 -174.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.66 96.73 6.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.93 1.292 . . . . 0.0 109.457 174.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.76 -29.09 73.5 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 123.903 0.764 . . . . 0.0 114.208 -177.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.38 121.85 26.75 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.43 1.092 . . . . 0.0 109.698 167.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -77.31 -15.7 59.3 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.64 -27.57 73.58 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 118.243 0.474 . . . . 0.0 113.189 161.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.1 t80 51.23 -105.0 0.18 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.928 1.291 . . . . 0.0 111.868 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 t80 62.59 -50.0 0.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 129.144 2.978 . . . . 0.0 117.025 174.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 75.8 p 43.34 66.78 4.24 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 127.694 2.397 . . . . 0.0 115.082 170.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.6 157.73 57.89 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.587 2.858 . . . . 0.0 112.812 -177.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -81.34 155.66 25.88 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.801 1.24 . . . . 0.0 112.17 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 43.8 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 126.354 1.862 . . . . 0.0 110.996 -179.101 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 2' ' ' ILE . . . . . . . . 0 N--CA 1.477 1.413 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.454 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 2.7 mm -107.46 -16.98 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 128.681 2.792 . . . . 0.0 112.246 -0.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.16 -26.76 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -165.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -70.89 -10.99 60.69 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 174.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -89.66 -41.44 11.94 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.01 1.324 . . . . 0.0 112.604 174.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -133.84 4.6 3.58 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 -165.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.4 142.23 34.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.114 1.324 . . . . 0.0 111.157 168.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p 54.15 17.91 1.6 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.027 1.731 . . . . 0.0 114.703 -170.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -153.29 151.94 30.58 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.642 1.977 . . . . 0.0 111.065 -171.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.1 mt -76.06 133.89 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.553 0.741 . . . . 0.0 110.901 -173.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -134.64 140.3 45.95 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.239 1.016 . . . . 0.0 113.121 171.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.66 158.64 32.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.932 1.293 . . . . 0.0 111.197 162.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.85 -21.26 65.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.162 -0.961 . . . . 0.0 113.477 171.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.57 -30.18 70.5 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 112.232 167.489 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.02 -33.18 17.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.187 0.995 . . . . 0.0 111.292 -178.341 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.25 -21.98 60.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 173.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.9 -22.37 25.31 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 169.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -64.5 -24.63 67.68 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.14 1.336 . . . . 0.0 113.138 175.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -75.67 -13.66 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 112.796 171.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.8 -48.37 2.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.816 1.246 . . . . 0.0 113.422 -166.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.512 1.125 . . . . 0.0 111.788 -169.761 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.43 -13.48 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.654 1.582 . . . . 0.0 113.476 -168.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -137.77 20.26 2.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.95 1.7 . . . . 0.0 113.528 -171.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -139.18 170.15 16.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.408 1.483 . . . . 0.0 112.341 -177.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -77.9 -11.19 59.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.03 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 59.39 -34.9 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 130.732 3.613 . . . . 0.0 118.852 171.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -80.64 138.4 36.41 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.896 -1.752 . . . . 0.0 113.416 -159.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.45 -31.57 8.81 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 128.07 2.748 . . . . 0.0 114.807 -7.371 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.51 -50.49 58.56 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.178 0.989 . . . . 0.0 113.015 -167.225 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -68.06 -29.09 67.97 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.576 -0.702 . . . . 0.0 112.356 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.34 -47.61 78.7 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.658 1.183 . . . . 0.0 110.704 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.58 -44.3 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.577 0.751 . . . . 0.0 111.293 176.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.34 -39.92 95.87 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.469 -0.769 . . . . 0.0 112.835 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.46 85.81 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.646 -0.659 . . . . 0.0 111.801 174.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.73 -23.72 62.49 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -74.02 -3.62 30.39 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 167.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -116.63 -39.72 3.28 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.159 1.384 . . . . 0.0 112.86 176.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.58 -30.37 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.233 1.413 . . . . 0.0 111.272 173.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -128.83 -165.88 1.56 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.55 1.94 . . . . 0.0 109.536 169.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -47.78 2.47 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.622 1.582 . . . . 0.0 113.496 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.2 -24.53 64.95 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.703 1.201 . . . . 0.0 111.403 163.004 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -113.34 153.45 28.48 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.492 1.917 . . . . 0.0 110.467 167.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.0 130.12 38.71 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.57 0.605 . . . . 0.0 112.688 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.5 t80 45.26 69.0 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.19 1.796 . . . . 0.0 114.39 177.266 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.32 138.9 58.25 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.485 -0.759 . . . . 0.0 111.635 169.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.7 p -132.78 129.12 21.1 Favored Pre-proline 0 N--CA 1.472 0.649 0 C-N-CA 124.775 1.23 . . . . 0.0 110.533 170.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -76.59 159.97 35.22 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.238 2.625 . . . . 0.0 112.627 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -141.52 143.19 33.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.727 1.611 . . . . 0.0 111.006 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.554 1.942 . . . . 0.0 113.113 -178.157 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.77 138.18 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.794 0.838 . . . . 0.0 110.834 178.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.91 -31.4 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.267 1.027 . . . . 0.0 113.628 -170.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -82.81 -11.37 58.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.18 0.992 . . . . 0.0 113.144 174.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 49.39 26.72 1.71 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.79 2.036 . . . . 0.0 114.842 178.049 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m 45.88 34.06 1.79 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.772 1.229 . . . . 0.0 113.842 -170.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.8 137.61 54.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.349 1.46 . . . . 0.0 110.265 -173.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.264 14.3 p 55.51 -34.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 128.653 2.781 . . . . 0.0 115.974 -161.286 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -90.69 152.76 20.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.829 1.652 . . . . 0.0 111.615 160.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.82 146.86 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.465 1.506 . . . . 0.0 112.192 -168.529 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.76 166.47 22.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.092 1.357 . . . . 0.0 113.256 178.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -141.12 172.26 12.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.722 2.009 . . . . 0.0 110.475 171.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.67 -29.6 62.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 176.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.12 -28.36 70.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.069 0.948 . . . . 0.0 113.091 171.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.66 -47.17 27.48 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.607 -0.683 . . . . 0.0 109.879 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.97 -44.05 94.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.672 0.389 . . . . 0.0 111.535 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.79 -23.98 66.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.131 -0.981 . . . . 0.0 113.618 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -82.02 -28.0 32.77 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.031 1.332 . . . . 0.0 112.451 174.128 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -72.76 -30.16 63.91 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.28 -0.887 . . . . 0.0 112.068 174.355 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.1 m -66.91 -39.15 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.669 0.788 . . . . 0.0 112.828 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.026 1.33 . . . . 0.0 110.873 174.575 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.85 129.43 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.464 1.506 . . . . 0.0 111.435 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.02 38.43 12.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.91 2.084 . . . . 0.0 113.876 178.6 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 169.25 21.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 113.211 -175.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -72.73 143.66 47.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.806 169.015 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 tp -144.99 62.53 1.3 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.177 1.391 . . . . 0.0 110.442 -174.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.11 163.82 27.58 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.255 1.022 . . . . 0.0 112.587 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.74 -155.96 49.66 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.451 1.024 . . . . 0.0 115.448 167.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -60.99 -23.5 65.43 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.764 1.226 . . . . 0.0 114.135 -175.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -59.94 -27.22 66.6 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.085 0.954 . . . . 0.0 112.618 174.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.41 -51.13 62.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.07 0.948 . . . . 0.0 112.07 177.165 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -72.17 -32.43 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.057 0.543 . . . . 0.0 112.388 -177.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -63.73 -45.75 88.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.02 0.528 . . . . 0.0 111.353 170.446 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.88 82.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 112.511 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.84 -44.91 96.32 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.405 -0.809 . . . . 0.0 111.74 174.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.54 -36.53 84.5 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 172.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.35 -35.05 73.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.167 0.894 . . . . 0.0 113.403 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -74.26 -47.25 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.472 1.109 . . . . 0.0 111.448 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.51 -27.69 20.14 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -168.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.33 -123.79 26.49 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.552 1.072 . . . . 0.0 114.287 168.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.67 -1.73 56.52 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.965 1.306 . . . . 0.0 114.058 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -68.76 151.75 46.23 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.364 1.066 . . . . 0.0 111.521 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.6 145.98 48.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.736 0.684 . . . . 0.0 113.649 173.556 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 t80 57.95 153.65 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.785 2.834 . . . . 0.0 117.066 -174.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -159.37 153.17 23.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.752 1.621 . . . . 0.0 111.352 174.221 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.2 p -125.8 118.57 24.19 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.63 1.172 . . . . 0.0 110.236 166.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -69.42 157.23 61.8 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.933 2.422 . . . . 0.0 113.755 176.271 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -134.04 154.35 51.21 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.12 1.768 . . . . 0.0 111.112 172.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.589 1.956 . . . . 0.0 113.053 -178.305 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.948 -0.461 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.1 mm -72.83 -49.36 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.872 0.869 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.66 162.41 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.992 2.117 . . . . 0.0 110.43 176.184 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.62 -1.7 25.82 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -59.48 -29.28 67.72 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -172.027 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -90.04 2.3 55.35 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 175.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.7 -38.74 6.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.161 1.785 . . . . 0.0 111.956 167.439 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -82.56 -28.99 30.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.376 1.07 . . . . 0.0 112.812 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -133.3 -178.56 5.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.731 2.012 . . . . 0.0 110.725 173.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mt -111.74 129.28 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.202 1.401 . . . . 0.0 109.762 -170.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.02 138.02 45.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.216 1.006 . . . . 0.0 113.639 -170.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -89.8 162.99 15.24 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.961 1.704 . . . . 0.0 112.235 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.8 -36.39 74.4 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.046 0.938 . . . . 0.0 113.458 -172.263 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.7 -37.63 76.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.491 1.116 . . . . 0.0 112.728 175.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.3 -31.69 71.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 111.078 178.012 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.2 -43.06 65.06 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.119 0.568 . . . . 0.0 111.273 175.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.89 -31.58 66.89 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.275 -0.891 . . . . 0.0 112.896 173.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.16 -20.82 65.8 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 177.105 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -85.24 -25.44 27.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.277 0.944 . . . . 0.0 112.851 170.057 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -80.25 -30.18 38.43 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.495 1.118 . . . . 0.0 112.913 175.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.25 1.42 . . . . 0.0 112.464 178.075 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.284 12.2 m 52.33 -7.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 130.223 3.409 . . . . 0.0 118.766 172.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -157.03 135.02 11.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.455 1.902 . . . . 0.0 109.759 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -78.96 -152.57 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.57 2.748 . . . . 0.0 110.838 -8.42 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -51.33 146.82 6.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.554 1.942 . . . . 0.0 112.434 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.9 mt -88.53 12.22 15.07 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.183 0.993 . . . . 0.0 113.451 -174.773 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.65 164.03 20.11 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.42 -1.425 . . . . 0.0 113.05 -178.587 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.49 41.81 24.06 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 113.273 -174.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m 62.69 7.91 2.74 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.123 2.169 . . . . 0.0 116.658 -178.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -68.02 -27.93 66.97 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.582 -1.324 . . . . 0.0 111.614 169.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.91 -48.26 82.06 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.046 1.738 . . . . 0.0 112.945 177.502 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.51 -36.43 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.467 0.576 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.61 -43.86 97.75 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.84 -0.537 . . . . 0.0 111.445 171.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.16 98.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.35 0.66 . . . . 0.0 111.737 174.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.46 -46.56 89.53 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.148 0.979 . . . . 0.0 112.235 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.09 -44.61 96.3 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.968 0.507 . . . . 0.0 112.164 177.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.41 -31.65 65.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -71.88 -47.32 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.256 1.022 . . . . 0.0 111.513 175.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -88.97 -32.03 17.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -169.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.64 -131.49 12.01 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.785 1.474 . . . . 0.0 116.785 161.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.93 -28.77 70.06 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.737 1.215 . . . . 0.0 114.063 -171.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -88.66 6.74 36.95 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 175.511 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.74 130.74 1.52 Allowed Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.232 1.873 . . . . 0.0 113.685 171.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.2 t80 64.38 154.94 0.06 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.612 2.365 . . . . 0.0 115.786 175.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -155.78 147.92 23.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.538 1.535 . . . . 0.0 111.677 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -133.57 137.24 28.44 Favored Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.112 0.965 . . . . 0.0 110.18 160.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.09 142.46 34.41 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.707 2.272 . . . . 0.0 111.178 173.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -88.14 156.17 19.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.818 1.647 . . . . 0.0 113.19 177.547 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.57 155.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.106 0.962 . . . . 0.0 112.999 178.653 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.28 -30.9 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 178.203 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.48 -34.03 71.92 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.141 -0.974 . . . . 0.0 113.041 -177.069 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 50.51 33.17 7.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.873 1.669 . . . . 0.0 114.57 168.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.9 m 56.5 -80.72 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.812 1.645 . . . . 0.0 113.035 -162.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m 37.51 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.444 3.498 . . . . 0.0 117.266 170.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -61.64 -22.44 65.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.56 1.544 . . . . 0.0 112.798 175.261 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -129.95 160.43 33.62 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.921 1.688 . . . . 0.0 113.039 176.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.3 mt -91.82 108.82 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.502 1.121 . . . . 0.0 108.235 175.13 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -72.75 141.13 48.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -88.33 163.95 15.79 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.264 1.426 . . . . 0.0 110.946 161.278 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -53.02 -41.28 64.56 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.336 1.455 . . . . 0.0 112.089 -177.289 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.88 -35.74 64.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.535 1.134 . . . . 0.0 113.496 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -79.44 -35.86 39.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.105 0.962 . . . . 0.0 111.128 178.061 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.02 -34.29 75.93 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.65 0.78 . . . . 0.0 112.293 176.028 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.44 -22.95 64.02 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.21 -32.39 71.63 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.065 -1.022 . . . . 0.0 112.653 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -76.43 -9.35 58.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.285 1.034 . . . . 0.0 113.327 178.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 m -75.3 -13.85 60.45 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.718 1.207 . . . . 0.0 111.979 -179.246 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.87 -45.12 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.119 1.768 . . . . 0.0 112.838 -176.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -156.22 158.63 37.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.145 0.978 . . . . 0.0 112.73 -172.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -92.74 88.36 6.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.763 1.225 . . . . 0.0 109.889 162.226 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -121.4 173.61 7.26 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.26 3.424 . . . . 0.0 112.335 8.648 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.38 86.83 5.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 110.343 173.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -140.85 151.61 44.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.559 1.144 . . . . 0.0 110.243 174.003 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.63 -128.44 47.46 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.601 -0.687 . . . . 0.0 112.623 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -58.68 -32.44 69.13 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -69.19 -34.13 74.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.201 0.91 . . . . 0.0 112.766 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.73 -43.2 80.55 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.044 0.538 . . . . 0.0 110.888 170.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.33 -46.56 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.392 0.677 . . . . 0.0 111.059 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.6 -45.05 95.73 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.922 0.783 . . . . 0.0 112.279 173.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.55 93.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.986 0.514 . . . . 0.0 112.343 178.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.11 -33.36 59.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.341 -0.838 . . . . 0.0 113.056 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.38 -32.63 71.48 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.68 1.582 . . . . 0.0 112.541 171.061 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.74 -15.13 59.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -120.02 -44.04 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.625 1.17 . . . . 0.0 112.979 -172.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.8 -20.94 13.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.58 1.552 . . . . 0.0 114.079 -178.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.94 149.29 34.33 Favored Glycine 0 CA--C 1.542 1.769 0 C-N-CA 124.43 1.014 . . . . 0.0 114.613 -168.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.51 -18.86 58.5 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.302 2.641 . . . . 0.0 114.253 5.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 52.34 27.13 4.55 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.186 1.794 . . . . 0.0 114.584 177.798 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 18.79 56.92 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.594 1.093 . . . . 0.0 114.815 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 62.83 -50.88 0.19 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.076 2.95 . . . . 0.0 116.921 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 47.97 82.4 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.74 2.016 . . . . 0.0 113.092 -165.05 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -116.3 78.82 8.4 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 125.484 1.514 . . . . 0.0 109.927 176.204 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.91 157.05 63.43 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.538 2.825 . . . . 0.0 112.994 -174.019 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -144.48 148.14 34.17 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.466 1.506 . . . . 0.0 111.516 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.207 1.803 . . . . 0.0 112.638 -178.412 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -152.84 139.92 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.664 1.186 . . . . 0.0 111.663 -175.367 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -153.22 35.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.772 1.229 . . . . 0.0 112.088 178.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.0 4.85 5.92 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -169.211 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 68.05 149.19 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.059 2.544 . . . . 0.0 115.72 177.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.78 -37.78 6.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.109 1.364 . . . . 0.0 111.593 176.16 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 44.38 -88.67 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.93 3.292 . . . . 0.0 116.703 165.477 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -73.19 -16.14 61.43 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.528 1.131 . . . . 0.0 113.287 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -106.9 161.99 14.22 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.806 1.642 . . . . 0.0 112.09 172.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.71 129.26 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.436 1.494 . . . . 0.0 109.466 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m -115.36 84.47 2.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.989 0.915 . . . . 0.0 110.553 174.82 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -66.16 171.24 4.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.668 1.187 . . . . 0.0 111.991 170.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -46.32 -41.45 13.31 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.009 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.48 -39.02 89.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.504 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.25 -31.96 58.61 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 111.857 175.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.94 -32.98 74.95 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.987 -0.445 . . . . 0.0 112.03 171.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.7 -24.76 61.04 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 113.17 166.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -67.12 -28.6 68.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.643 -1.286 . . . . 0.0 112.337 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -63.14 -16.05 58.77 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.995 -1.066 . . . . 0.0 113.75 171.405 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.66 -14.54 59.96 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.741 1.216 . . . . 0.0 111.737 -179.903 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -67.01 -16.76 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -163.262 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -152.01 50.18 0.79 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.737 2.015 . . . . 0.0 110.18 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -132.31 160.94 34.79 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -168.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -66.18 132.37 48.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.688 1.195 . . . . 0.0 110.341 162.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.2 mt -137.88 96.76 3.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.978 0.911 . . . . 0.0 110.995 -173.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.56 -151.76 0.21 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.191 1.396 . . . . 0.0 111.952 -177.031 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.23 135.83 39.85 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.951 -1.093 . . . . 0.0 111.227 165.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 p 59.35 162.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.367 1.867 . . . . 0.0 114.415 -161.171 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 63.02 -38.01 0.16 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.725 2.41 . . . . 0.0 116.0 -172.256 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.28 -40.91 78.73 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.896 1.226 . . . . 0.0 111.439 167.19 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.66 -49.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.032 1.333 . . . . 0.0 110.172 176.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.44 -38.87 85.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.77 0.828 . . . . 0.0 111.928 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.29 99.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.721 0.809 . . . . 0.0 112.024 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -71.29 -33.83 70.09 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.708 -1.245 . . . . 0.0 113.078 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.81 6.77 2.97 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 169.282 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.97 -8.55 10.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.636 1.574 . . . . 0.0 113.821 167.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -126.36 -55.65 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.807 1.243 . . . . 0.0 113.189 -173.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.5 t -85.55 -33.39 21.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.654 0.661 . . . . 0.0 112.336 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.62 -175.17 13.7 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.234 1.397 . . . . 0.0 112.233 171.501 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.03 -108.63 0.27 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.401 1.481 . . . . 0.0 109.402 172.616 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.78 -12.76 60.8 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.067 0.947 . . . . 0.0 112.93 166.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.93 -172.78 29.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.987 2.232 . . . . 0.0 111.844 174.389 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -151.99 160.27 43.52 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.526 1.93 . . . . 0.0 109.954 173.596 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -151.1 138.3 19.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.853 0.861 . . . . 0.0 112.962 175.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -104.56 111.32 65.19 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 126.229 1.812 . . . . 0.0 110.942 174.189 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.09 73.75 5.61 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.835 3.024 . . . . 0.0 112.017 -178.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 -179.69 6.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.91 2.084 . . . . 0.0 112.008 178.638 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.471 1.908 . . . . 0.0 113.553 -179.573 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp -142.0 137.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.853 1.261 . . . . 0.0 111.183 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.83 2.48 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.273 1.429 . . . . 0.0 114.307 -175.131 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -128.62 132.45 48.14 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.033 2.133 . . . . 0.0 108.758 174.232 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -131.8 140.61 49.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.127 0.571 . . . . 0.0 112.498 -171.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.96 41.01 0.49 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.416 1.487 . . . . 0.0 112.459 174.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -87.11 -25.71 24.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.255 1.422 . . . . 0.0 111.896 177.012 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -117.63 136.14 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.789 1.636 . . . . 0.0 109.027 162.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t 56.58 153.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.693 1.197 . . . . 0.0 113.584 -148.372 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.2 mt -89.6 -24.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.583 1.153 . . . . 0.0 111.822 -173.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m 62.01 160.43 0.07 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.303 2.241 . . . . 0.0 115.917 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -97.64 153.41 18.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.559 1.544 . . . . 0.0 110.629 164.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -25.19 68.14 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.056 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.14 -34.77 66.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.775 0.83 . . . . 0.0 112.853 171.061 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -71.08 -36.86 72.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.42 -0.8 . . . . 0.0 111.027 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.33 -45.76 79.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.615 0.766 . . . . 0.0 110.721 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.69 -33.71 68.66 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.519 -0.738 . . . . 0.0 112.411 172.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.61 -23.62 64.48 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.223 -0.923 . . . . 0.0 113.453 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.0 -11.73 60.9 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.838 -1.164 . . . . 0.0 113.207 169.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -109.77 -0.53 18.41 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.413 2.285 . . . . 0.0 113.276 175.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 126.12 1.768 . . . . 0.0 112.024 -174.335 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.54 0.564 0 CA-C-O 121.167 0.508 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -112.62 -1.8 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.951 1.7 . . . . 0.0 111.535 161.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -123.84 5.31 8.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.684 1.994 . . . . 0.0 112.656 173.788 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -144.04 142.91 30.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.945 1.698 . . . . 0.0 110.585 178.577 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -65.47 152.16 44.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.113 1.765 . . . . 0.0 113.45 -174.566 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.36 96.51 6.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.818 1.647 . . . . 0.0 110.097 176.413 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -95.55 -168.91 1.86 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.373 1.469 . . . . 0.0 112.15 176.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.77 137.86 30.71 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 121.301 -0.874 . . . . 0.0 113.348 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m 61.83 -39.89 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.662 2.385 . . . . 0.0 115.86 -167.389 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -61.75 -41.8 98.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.039 1.291 . . . . 0.0 111.731 176.639 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.5 -36.91 85.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.182 1.393 . . . . 0.0 112.4 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.73 -47.86 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.453 0.701 . . . . 0.0 110.147 177.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.81 -39.95 95.84 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.277 0.631 . . . . 0.0 112.081 174.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.78 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.361 0.664 . . . . 0.0 112.324 176.039 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.39 -39.23 91.97 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.356 -0.84 . . . . 0.0 112.334 178.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.52 -17.31 64.74 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.52 -43.56 10.15 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.493 1.117 . . . . 0.0 112.4 171.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.13 -40.04 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.944 1.297 . . . . 0.0 112.529 -174.587 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -86.7 5.3 36.84 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.55 129.46 36.55 Favored Glycine 0 CA--C 1.543 1.805 0 CA-C-N 120.064 1.302 . . . . 0.0 111.118 170.083 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -111.11 31.49 6.02 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 130.686 3.594 . . . . 0.0 113.851 6.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -62.6 -24.52 67.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.609 1.564 . . . . 0.0 113.617 -178.748 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.23 -3.66 33.26 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.368 1.461 . . . . 0.0 115.228 175.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -56.9 140.75 47.43 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.406 1.082 . . . . 0.0 113.3 -176.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -111.55 -35.97 5.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.407 1.483 . . . . 0.0 111.5 166.383 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.5 m 60.46 69.78 1.1 Allowed Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 125.942 1.697 . . . . 0.0 111.993 174.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.67 -14.37 39.2 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.672 2.915 . . . . 0.0 114.617 -170.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -83.16 5.61 22.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.193 1.397 . . . . 0.0 114.739 -179.135 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 128.873 2.869 . . . . 0.0 113.439 -179.516 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 112.299 -0.32 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.27 -37.32 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.448 1.099 . . . . 0.0 112.285 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.56 -33.89 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.168 1.387 . . . . 0.0 113.416 -170.701 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.99 -2.08 41.22 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 57.94 176.36 0.06 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.352 1.861 . . . . 0.0 113.49 -168.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.97 67.8 8.11 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.257 -1.527 . . . . 0.0 109.866 175.611 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 153.25 25.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.549 1.94 . . . . 0.0 112.579 -171.186 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.304 4.4 t 56.23 -43.83 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 130.098 3.359 . . . . 0.0 116.981 -176.17 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 p -109.13 155.35 21.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.176 1.791 . . . . 0.0 111.582 167.179 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mt -93.79 123.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 110.709 -175.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -75.66 154.19 36.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.074 1.75 . . . . 0.0 111.699 172.694 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.2 p -80.83 154.56 27.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.212 -0.93 . . . . 0.0 111.099 165.166 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.06 -30.92 69.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.01 0.924 . . . . 0.0 112.513 -177.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -53.33 -32.9 51.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.645 1.578 . . . . 0.0 113.616 171.258 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -71.5 -26.87 62.86 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.187 -0.946 . . . . 0.0 112.253 -177.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.12 -25.63 67.07 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.347 1.059 . . . . 0.0 112.818 -177.512 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.46 -31.56 69.43 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.525 1.13 . . . . 0.0 113.137 170.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.89 -28.16 68.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.257 -0.902 . . . . 0.0 112.877 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.24 -25.58 65.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.099 . . . . 0.0 112.568 173.215 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 t -83.23 -24.29 32.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.636 1.174 . . . . 0.0 112.507 178.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 p30 . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 125.55 1.54 . . . . 0.0 111.763 177.46 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.83 106.87 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 125.407 1.483 . . . . 0.0 110.709 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -132.49 149.47 52.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.759 2.824 . . . . 0.0 112.221 -5.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -157.64 -177.96 6.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.997 2.119 . . . . 0.0 110.728 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -71.18 131.11 43.05 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.106 -0.996 . . . . 0.0 109.925 160.194 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -107.53 78.37 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.22 1.008 . . . . 0.0 108.359 172.022 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -145.05 130.09 18.4 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.182 1.393 . . . . 0.0 110.915 -176.199 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.13 -32.91 0.53 Allowed Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.868 1.699 . . . . 0.0 115.684 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -145.13 170.5 16.11 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.044 2.137 . . . . 0.0 110.772 174.096 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m80 60.2 -22.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.766 2.826 . . . . 0.0 117.081 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.3 tp -52.08 -51.83 55.17 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.624 1.57 . . . . 0.0 112.94 -172.28 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.6 -48.96 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.235 0.925 . . . . 0.0 112.492 -173.273 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.3 -37.66 83.73 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.222 -0.924 . . . . 0.0 112.065 176.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.225 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -68.87 -49.45 58.17 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.412 -0.805 . . . . 0.0 111.507 171.444 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -62.84 -40.78 98.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.598 0.759 . . . . 0.0 112.875 -172.323 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.26 -17.03 61.37 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -85.44 -45.16 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.146 0.978 . . . . 0.0 111.412 177.024 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 t -81.91 -16.6 50.05 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 176.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.22 10.13 66.44 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.433 1.492 . . . . 0.0 115.849 172.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -152.94 150.7 29.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.19 1.396 . . . . 0.0 111.053 178.743 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -83.91 -18.15 38.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.069 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.79 38.77 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.033 1.302 . . . . 0.0 113.429 171.457 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -131.87 156.1 46.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.387 1.475 . . . . 0.0 113.788 -175.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -141.09 144.67 35.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.768 1.627 . . . . 0.0 110.328 163.12 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -136.37 112.34 10.09 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 125.083 1.353 . . . . 0.0 110.506 176.077 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -73.68 150.42 45.02 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.769 2.313 . . . . 0.0 111.422 174.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -150.73 167.34 27.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 112.639 -178.216 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.252 1.232 0 C-N-CA 127.489 2.315 . . . . 0.0 113.318 175.136 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 mp -82.13 132.61 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.041 0.936 . . . . 0.0 109.222 176.397 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 m -87.19 179.72 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.553 1.541 . . . . 0.0 112.344 -179.197 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.01 -20.25 64.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -95.57 151.58 19.2 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.377 . . . . 0.0 111.966 173.454 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.9 t -28.82 110.86 0.05 Allowed 'General case' 0 N--CA 1.478 0.961 1 C-N-CA 134.993 5.317 . . . . 0.0 118.547 5.36 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -143.75 160.1 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.242 2.217 . . . . 0.0 110.355 174.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.301 3.2 t 57.02 -42.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 130.301 3.44 . . . . 0.0 117.307 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.6 m -93.04 153.7 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.712 163.565 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -95.74 114.07 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.888 0.875 . . . . 0.0 109.207 -179.462 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -76.45 146.81 38.32 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.022 1.329 . . . . 0.0 113.106 -178.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.48 165.81 13.59 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.082 1.353 . . . . 0.0 111.32 168.186 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.28 -29.64 64.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.869 0.868 . . . . 0.0 112.736 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -53.45 -37.14 62.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.697 1.199 . . . . 0.0 113.171 173.15 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -73.27 -35.18 66.15 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.529 -0.732 . . . . 0.0 111.469 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -71.43 -40.91 70.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.362 0.665 . . . . 0.0 111.056 175.544 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.21 -28.32 69.06 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.177 -0.952 . . . . 0.0 112.792 173.203 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -67.95 -30.52 69.84 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.114 0.87 . . . . 0.0 112.717 173.4 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -76.61 -33.94 58.4 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.259 170.432 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.8 m -66.44 -37.47 85.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.823 0.849 . . . . 0.0 112.606 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 125.869 1.668 . . . . 0.0 110.57 178.18 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.548 0.689 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t 64.9 -35.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 127.884 2.474 . . . . 0.0 114.399 -167.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.8 -34.5 77.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.297 1.439 . . . . 0.0 112.367 165.318 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -154.02 169.04 24.46 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.84 1.656 . . . . 0.0 111.697 -172.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -61.73 153.94 26.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.969 1.308 . . . . 0.0 113.409 -177.335 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.73 20.68 12.81 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.699 1.6 . . . . 0.0 113.079 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.14 151.55 42.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.558 1.543 . . . . 0.0 114.48 -170.03 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.32 -85.29 1.57 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.899 1.238 . . . . 0.0 111.702 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 70.0 m -133.64 -13.27 2.6 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -178.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.5 -27.12 69.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.902 1.228 . . . . 0.0 113.123 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -63.41 -26.02 68.55 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 173.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.68 -44.19 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.387 0.994 . . . . 0.0 110.179 174.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.83 -29.74 70.26 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.382 0.673 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.95 -44.05 56.22 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.329 1.052 . . . . 0.0 112.262 169.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.93 -35.93 79.85 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.262 1.025 . . . . 0.0 112.268 -178.534 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.23 -6.08 12.5 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.184 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.1 -22.24 10.12 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.619 1.567 . . . . 0.0 113.333 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -78.94 -35.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.445 1.098 . . . . 0.0 110.851 169.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 p -141.68 76.93 1.57 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.933 2.093 . . . . 0.0 110.735 165.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -25.79 0.03 OUTLIER Glycine 0 CA--C 1.535 1.329 0 O-C-N 118.366 -2.709 . . . . 0.0 114.809 -0.633 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -146.28 49.16 1.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.592 1.196 . . . . 0.0 111.026 178.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 61.81 -16.43 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 127.49 2.316 . . . . 0.0 116.129 -170.231 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.25 165.5 23.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.997 1.284 . . . . 0.0 111.616 147.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -140.15 160.99 38.72 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.542 1.537 . . . . 0.0 111.91 -176.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -154.61 148.79 25.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.959 1.304 . . . . 0.0 111.272 164.682 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -144.05 140.46 17.05 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.486 0.714 . . . . 0.0 111.324 160.241 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -81.97 11.64 3.06 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 124.098 3.198 . . . . 0.0 113.594 174.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -48.98 139.03 10.81 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.486 1.368 0 C-N-CA 127.677 2.391 . . . . 0.0 114.901 169.201 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.439 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tp -148.39 147.66 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.651 1.581 . . . . 0.0 110.206 170.191 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.31 141.19 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 0.0 111.002 -177.121 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 51.62 39.96 26.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.405 1.482 . . . . 0.0 113.388 -176.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 158.58 4.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.933 2.093 . . . . 0.0 115.23 -178.592 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.04 -73.18 0.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.531 1.532 . . . . 0.0 112.411 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 40.59 -91.31 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.757 2.823 . . . . 0.0 115.93 176.174 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 m -61.99 -25.13 67.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.498 1.519 . . . . 0.0 112.855 177.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -105.22 153.59 21.37 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.1 1.76 . . . . 0.0 112.043 175.1 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.94 143.35 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.427 1.091 . . . . 0.0 110.625 177.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 m -132.87 162.73 30.8 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.634 1.574 . . . . 0.0 112.422 177.506 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -144.84 177.6 8.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.517 2.327 . . . . 0.0 109.148 173.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.43 -41.95 41.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.132 1.373 . . . . 0.0 113.04 -177.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -57.77 -35.78 71.25 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.707 1.203 . . . . 0.0 113.327 176.083 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -80.54 -38.07 30.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.787 0.835 . . . . 0.0 111.242 176.516 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.4 -35.24 79.82 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.453 0.701 . . . . 0.0 112.67 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.71 -34.85 54.27 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.687 1.195 . . . . 0.0 112.942 170.42 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.45 -16.38 62.92 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.59 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 -24.58 44.82 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.11 0.868 . . . . 0.0 113.161 176.433 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -114.97 -31.16 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.779 0.831 . . . . 0.0 111.619 176.908 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.538 0.685 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.23 -28.53 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.323 1.449 . . . . 0.0 112.642 -177.252 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 48.76 36.46 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.963 2.105 . . . . 0.0 114.721 174.574 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -141.23 106.78 5.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.282 1.833 . . . . 0.0 108.844 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.6 m80 49.71 50.92 17.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.52 1.528 . . . . 0.0 114.669 167.321 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.08 111.25 1.25 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.532 1.133 . . . . 0.0 111.302 -173.124 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -143.24 151.04 40.12 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.93 1.292 . . . . 0.0 110.961 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.96 -127.37 40.97 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 123.434 0.54 . . . . 0.0 112.297 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -49.09 -43.77 41.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.333 . . . . 0.0 113.123 177.683 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.98 -21.07 62.35 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -176.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -86.77 -47.9 8.7 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.213 0.605 . . . . 0.0 111.543 172.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 m -69.5 -40.81 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.537 0.608 . . . . 0.0 112.291 -175.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.52 -33.16 74.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.311 0.96 . . . . 0.0 112.17 175.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.43 58.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.658 -0.651 . . . . 0.0 111.715 175.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.36 -32.91 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.019 -1.05 . . . . 0.0 112.394 173.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -65.77 -20.98 66.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.468 1.031 . . . . 0.0 113.711 173.818 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.73 -23.66 13.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.511 1.524 . . . . 0.0 113.047 179.426 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -90.15 -50.28 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.879 1.272 . . . . 0.0 111.783 175.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -97.59 30.21 3.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.164 1.786 . . . . 0.0 112.028 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.58 -153.93 13.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.659 1.123 . . . . 0.0 112.764 -175.468 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.1 -35.23 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.49 1.116 . . . . 0.0 112.901 173.138 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -163.1 -47.08 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.436 2.294 . . . . 0.0 109.164 168.276 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.51 178.96 53.42 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.031 0.824 . . . . 0.0 111.854 147.357 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -52.29 128.74 26.17 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.66 1.184 . . . . 0.0 111.565 175.781 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -81.83 -50.49 9.15 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -153.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 p 26.31 66.24 0.5 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 127.535 2.334 . . . . 0.0 116.053 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.8 144.11 63.95 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.082 2.521 . . . . 0.0 111.81 -174.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.93 134.08 46.94 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.659 0.783 . . . . 0.0 110.649 174.344 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.096 1.758 . . . . 0.0 112.626 -172.796 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.551 1.01 0 CA-C-O 119.183 -0.437 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m 55.14 18.26 2.3 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 p -90.9 -61.7 1.61 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.044 1.338 . . . . 0.0 111.246 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -118.81 161.86 19.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.01 2.124 . . . . 0.0 109.273 165.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -59.49 115.55 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -170.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.07 122.77 22.33 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -157.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -69.45 154.32 42.19 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.94 0.896 . . . . 0.0 110.632 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.67 -29.9 70.98 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.235 -0.916 . . . . 0.0 112.41 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -56.36 -35.88 68.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.44 1.096 . . . . 0.0 113.142 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.42 -36.17 58.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.844 0.857 . . . . 0.0 111.038 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.47 -32.07 70.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.401 1.08 . . . . 0.0 112.618 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.75 -20.38 56.21 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -56.82 -34.88 68.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.847 0.859 . . . . 0.0 112.282 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -93.04 -19.86 21.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.587 1.555 . . . . 0.0 112.599 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -74.64 -34.44 62.75 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.492 0.717 . . . . 0.0 111.8 169.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 C--O 1.239 0.527 0 C-N-CA 125.903 1.681 . . . . 0.0 110.596 -178.046 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 120.95 0.405 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -133.76 -45.17 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.283 1.833 . . . . 0.0 110.227 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -110.35 172.26 6.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.133 1.773 . . . . 0.0 111.205 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.09 131.08 48.36 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.816 0.846 . . . . 0.0 111.431 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -154.44 165.41 36.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.317 3.047 . . . . 0.0 109.353 -13.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.02 154.39 35.77 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.549 1.54 . . . . 0.0 110.856 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m 64.13 138.41 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.959 2.504 . . . . 0.0 114.508 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.87 -3.85 65.13 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 128.117 2.77 . . . . 0.0 114.944 -6.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -122.68 -168.05 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.529 1.932 . . . . 0.0 111.023 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 61.43 -28.64 0.06 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.933 2.893 . . . . 0.0 116.855 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.95 -44.52 97.17 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.194 1.361 . . . . 0.0 111.998 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.77 -37.91 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 122.975 0.51 . . . . 0.0 111.858 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.76 -38.28 86.28 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.705 0.684 . . . . 0.0 112.103 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -48.88 78.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.212 0.605 . . . . 0.0 110.903 170.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.09 -38.22 85.3 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.099 -1.001 . . . . 0.0 113.249 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -57.64 -29.78 64.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.259 0.936 . . . . 0.0 112.773 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.71 -32.49 16.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.255 1.022 . . . . 0.0 113.347 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -87.21 -36.3 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.877 1.271 . . . . 0.0 112.844 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -85.45 69.27 10.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 C-N-CA 125.554 1.55 . . . . 0.0 113.352 169.235 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 119.573 -0.251 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 m 52.8 -70.92 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 130.232 3.413 . . . . 0.0 116.811 160.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -75.57 -26.94 58.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.929 1.292 . . . . 0.0 111.859 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -118.42 153.66 33.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.088 1.355 . . . . 0.0 113.908 -170.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mm -63.63 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.444 1.498 . . . . 0.0 109.427 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.71 117.23 19.13 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.525 0.679 . . . . 0.0 112.676 163.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.2 m -94.87 172.86 7.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 111.849 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.9 -38.74 62.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.532 1.133 . . . . 0.0 113.596 -170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.41 -38.15 83.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.36 1.064 . . . . 0.0 113.298 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.59 -37.09 60.11 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.508 1.123 . . . . 0.0 110.918 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.59 -38.31 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.561 1.144 . . . . 0.0 112.359 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.68 -27.07 62.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.399 1.079 . . . . 0.0 112.891 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.77 -5.66 35.73 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -94.64 -9.63 34.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.832 1.253 . . . . 0.0 113.355 167.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -113.31 -32.57 6.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.253 1.421 . . . . 0.0 112.961 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.3 p30 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.345 1.458 . . . . 0.0 112.352 179.023 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 p90 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.79 158.96 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 130.603 3.561 . . . . 0.0 113.212 -0.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.5 34.63 17.92 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.914 1.686 . . . . 0.0 115.269 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -133.21 166.43 22.49 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.796 1.238 . . . . 0.0 111.832 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.09 146.47 53.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.868 1.267 . . . . 0.0 111.658 169.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -136.28 142.23 43.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.163 1.785 . . . . 0.0 108.451 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 t -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.926 0.784 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.3 -131.53 50.7 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.405 0.447 . . . . 0.0 113.524 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -58.85 -27.81 65.5 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.525 1.13 . . . . 0.0 113.714 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -70.79 -30.59 67.11 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.368 0.986 . . . . 0.0 112.65 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.77 -46.65 65.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.443 0.565 . . . . 0.0 109.804 169.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.21 -44.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 121.579 -0.701 . . . . 0.0 111.629 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.8 -38.15 89.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.596 0.758 . . . . 0.0 112.806 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.831 0.742 . . . . 0.0 112.561 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.625 -1.297 . . . . 0.0 112.332 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -72.91 -5.71 40.27 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 171.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.0 -45.68 5.86 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.053 1.341 . . . . 0.0 111.797 166.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.06 -34.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.833 1.653 . . . . 0.0 112.552 -172.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -110.36 4.72 20.96 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.649 1.58 . . . . 0.0 113.475 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.279 0 C-N-CA 124.492 1.044 . . . . 0.0 113.523 176.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.257 30.8 t . . . . . 0 CA--C 1.555 1.164 0 CA-C-O 123.176 1.465 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.08 157.3 26.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.044 1.738 . . . . 0.0 110.384 158.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m 65.31 -50.2 0.36 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.649 2.379 . . . . 0.0 115.789 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -107.03 153.97 21.82 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.877 1.671 . . . . 0.0 111.64 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -102.44 130.68 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.449 1.1 . . . . 0.0 109.793 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -101.09 156.07 17.63 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.7 1.6 . . . . 0.0 113.963 -168.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -84.25 153.06 23.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.154 1.382 . . . . 0.0 111.521 167.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.23 -23.89 66.92 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.428 -0.795 . . . . 0.0 112.019 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -57.47 -35.18 69.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 112.458 170.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.84 -37.69 73.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.407 -0.808 . . . . 0.0 110.739 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -65.51 -40.25 92.78 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.139 0.576 . . . . 0.0 111.296 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.91 -35.25 80.55 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.109 -0.995 . . . . 0.0 112.32 172.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -67.61 -30.56 70.18 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.514 -0.741 . . . . 0.0 112.47 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -71.27 -39.14 71.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.106 0.866 . . . . 0.0 111.673 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.67 -32.14 73.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.908 0.883 . . . . 0.0 112.221 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 . . . . . 0 C--O 1.238 0.481 0 C-N-CA 125.992 1.717 . . . . 0.0 110.476 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.41 137.52 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.378 1.071 . . . . 0.0 110.389 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.08 52.99 1.63 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.323 1.449 . . . . 0.0 112.085 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.81 44.85 1.92 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.556 1.942 . . . . 0.0 111.273 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 45.8 m80 65.74 162.15 0.15 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.207 2.203 . . . . 0.0 115.303 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -138.74 99.17 3.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.338 1.455 . . . . 0.0 109.075 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -145.79 152.82 40.15 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.446 -0.784 . . . . 0.0 111.324 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -139.78 47.7 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 -171.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -55.92 -32.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.241 1.016 . . . . 0.0 113.669 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -64.66 -32.88 74.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.597 0.759 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -71.43 -38.33 71.37 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.26 0.624 . . . . 0.0 111.569 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.78 -45.79 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.345 0.658 . . . . 0.0 110.479 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.59 -38.77 92.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.606 -0.684 . . . . 0.0 112.381 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.26 99.77 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.242 -0.911 . . . . 0.0 111.863 172.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.91 -30.18 67.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.271 -0.893 . . . . 0.0 113.282 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -62.26 -39.01 91.49 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.37 0.986 . . . . 0.0 111.393 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -73.59 -46.37 47.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.366 1.066 . . . . 0.0 112.707 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.43 -40.15 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.68 -10.51 58.13 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.947 0.899 . . . . 0.0 113.188 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.135 0 C-N-CA 126.188 1.851 . . . . 0.0 114.306 168.124 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.72 153.85 0.07 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.962 2.505 . . . . 0.0 115.815 -174.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 p -82.65 156.74 23.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.608 2.763 . . . . 0.0 111.729 -9.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -83.16 -163.42 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.849 3.26 . . . . 0.0 112.702 -1.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.12 129.76 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.369 1.467 . . . . 0.0 111.665 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.3 m -93.46 160.77 14.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.753 1.221 . . . . 0.0 112.728 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -131.95 172.65 12.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.467 1.907 . . . . 0.0 111.075 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -52.63 -37.87 59.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.18 1.392 . . . . 0.0 112.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -61.53 -39.59 91.61 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.756 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -69.43 -37.74 77.54 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.432 -0.792 . . . . 0.0 110.889 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.55 -43.38 94.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.044 0.538 . . . . 0.0 111.995 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.18 -24.96 68.12 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.216 -0.927 . . . . 0.0 113.26 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -68.2 -10.51 54.94 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 120.901 -1.124 . . . . 0.0 113.713 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.54 -2.23 57.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.442 1.097 . . . . 0.0 113.662 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.99 96.98 3.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 122.87 1.319 . . . . 0.0 112.57 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.261 1.424 . . . . 0.0 111.275 176.01 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.998 0.427 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.41 -16.34 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.913 1.285 . . . . 0.0 111.722 162.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -142.22 165.2 28.09 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.932 2.093 . . . . 0.0 110.393 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 64.04 156.1 0.07 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.07 2.148 . . . . 0.0 113.9 -166.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -63.16 136.21 57.61 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.239 1.016 . . . . 0.0 112.199 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tp -123.99 12.57 9.04 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.026 1.33 . . . . 0.0 113.256 -172.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.42 166.92 10.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.587 1.955 . . . . 0.0 112.826 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.88 83.36 0.82 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.594 1.092 . . . . 0.0 111.638 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.5 m 61.48 -25.49 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 128.347 2.659 . . . . 0.0 117.124 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -76.01 -20.07 58.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.668 1.122 . . . . 0.0 113.641 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.87 -42.08 98.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.435 -0.791 . . . . 0.0 112.58 -175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.24 -35.89 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.974 0.806 . . . . 0.0 111.752 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.51 -35.57 79.36 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.316 0.646 . . . . 0.0 112.035 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.12 79.58 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.486 0.714 . . . . 0.0 112.213 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.83 -30.87 71.56 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.252 -0.905 . . . . 0.0 112.284 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -65.22 -17.81 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.64 -40.83 10.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.529 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.98 -35.67 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.146 0.978 . . . . 0.0 112.978 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.14 -4.91 13.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.22 1.808 . . . . 0.0 114.172 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.351 0 C-N-CA 124.353 0.978 . . . . 0.0 113.465 -173.715 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -84.86 59.27 5.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.87 1.668 . . . . 0.0 109.829 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -27.64 65.62 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -167.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 p -64.18 149.42 47.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 131.417 3.887 . . . . 0.0 114.233 -1.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt 47.37 94.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 128.037 2.535 . . . . 0.0 114.633 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -68.48 171.39 7.51 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.76 0.79 . . . . 0.0 111.738 157.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -136.49 165.64 25.36 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.375 1.07 . . . . 0.0 112.061 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.37 -36.13 61.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 112.851 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -61.38 -30.62 70.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.698 1.199 . . . . 0.0 113.68 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -77.28 -33.02 55.87 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.16 -0.962 . . . . 0.0 111.287 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.26 -40.77 58.54 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.697 0.799 . . . . 0.0 112.972 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -14.93 62.86 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -173.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.82 -31.25 68.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 112.917 168.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -86.26 -5.34 59.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.1 -6.32 38.27 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -172.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.763 1.625 . . . . 0.0 113.678 172.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t 54.62 -54.85 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 130.284 3.434 . . . . 0.0 117.45 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.37 78.45 1.64 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.066 1.746 . . . . 0.0 111.212 -171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.77 -178.05 6.49 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.868 -1.145 . . . . 0.0 113.518 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -71.51 68.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.308 1.843 . . . . 0.0 112.935 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.46 46.94 0.78 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.77 1.628 . . . . 0.0 111.952 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -87.82 151.0 23.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.096 1.358 . . . . 0.0 112.522 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.19 -123.81 33.76 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.667 -0.646 . . . . 0.0 113.413 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.51 -27.29 66.02 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -73.03 -17.57 61.42 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.233 -0.917 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.02 -48.59 52.19 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 111.037 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.48 -38.84 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.02 0.528 . . . . 0.0 111.872 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -61.1 -37.43 82.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.065 0.546 . . . . 0.0 112.269 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.22 62.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.121 0.568 . . . . 0.0 111.905 172.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.15 -39.35 75.07 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.206 0.912 . . . . 0.0 112.646 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.235 1.014 . . . . 0.0 113.34 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -106.88 -40.83 5.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.122 1.769 . . . . 0.0 112.138 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.11 -36.6 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.625 1.57 . . . . 0.0 111.722 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -92.09 3.24 55.72 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.582 1.153 . . . . 0.0 113.951 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.67 0 C-N-CA 125.879 1.704 . . . . 0.0 116.195 178.449 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.89 -24.29 59.69 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -123.29 -8.42 8.15 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -168.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 t -143.49 156.34 44.6 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.85 1.26 . . . . 0.0 112.258 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.27 93.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.824 1.25 . . . . 0.0 109.723 -175.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.18 113.17 9.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.904 0.482 . . . . 0.0 111.348 171.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.453 ' H ' ' NE2' ' A' ' 15' ' ' GLN . 43.8 p -69.38 164.55 22.69 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.275 1.03 . . . . 0.0 110.802 161.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.2 -31.16 70.93 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.752 -1.218 . . . . 0.0 112.243 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -57.17 -40.68 77.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.829 0.851 . . . . 0.0 112.374 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 12' ' ' SER . 67.5 mt-30 -71.04 -36.96 72.54 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.706 -0.621 . . . . 0.0 111.184 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.37 -36.25 81.69 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.794 0.437 . . . . 0.0 111.74 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.7 -32.59 74.0 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.857 -1.152 . . . . 0.0 113.31 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.58 -28.25 69.0 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.522 1.055 . . . . 0.0 113.073 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -70.25 -43.64 70.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.248 0.931 . . . . 0.0 111.378 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.88 -39.89 93.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.807 0.843 . . . . 0.0 112.82 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 126.163 1.785 . . . . 0.0 113.672 175.838 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.91 167.28 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 130.162 3.385 . . . . 0.0 111.805 -6.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 55.39 -146.64 0.56 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.587 1.555 . . . . 0.0 112.483 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -139.76 160.66 39.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.584 1.954 . . . . 0.0 110.513 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -103.03 121.91 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.027 2.931 . . . . 0.0 112.974 10.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.07 134.44 33.83 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.777 1.231 . . . . 0.0 108.264 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.3 t -147.05 -98.35 0.09 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.54 0.736 . . . . 0.0 112.09 -169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.46 -11.23 80.0 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.58 1.086 . . . . 0.0 114.918 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.37 163.04 34.02 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.116 1.767 . . . . 0.0 110.59 171.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m80 60.37 -27.92 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.093 2.957 . . . . 0.0 117.181 -177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.6 -48.21 80.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.025 1.284 . . . . 0.0 112.168 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.92 -28.94 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.24 -43.59 50.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.311 0.645 . . . . 0.0 110.998 170.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.59 -37.76 79.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.344 1.057 . . . . 0.0 113.033 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.61 -45.28 94.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.353 0.979 . . . . 0.0 111.365 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.97 -33.89 61.94 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.83 -31.76 72.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.653 0.781 . . . . 0.0 112.537 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -79.38 -45.77 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.561 1.144 . . . . 0.0 111.637 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.1 -33.73 59.49 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.403 0 C-N-CA 125.491 1.52 . . . . 0.0 112.349 -171.746 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.5 -22.66 34.22 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 p -85.7 -10.67 55.31 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.397 1.479 . . . . 0.0 114.566 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -142.86 156.68 44.97 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -168.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -84.02 65.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 167.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 m -54.16 145.63 16.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.776 1.23 . . . . 0.0 113.335 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.7 m -77.24 158.0 30.52 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.647 1.179 . . . . 0.0 111.83 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.0 -32.2 70.64 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -56.57 -31.05 63.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.383 1.073 . . . . 0.0 112.514 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -81.94 -31.34 31.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.76 -30.99 68.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.55 0.74 . . . . 0.0 112.644 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.72 -20.52 49.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -57.09 -29.39 63.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.89 1.276 . . . . 0.0 112.791 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -88.31 -1.9 58.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.492 1.517 . . . . 0.0 113.152 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.47 -32.02 5.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.555 1.542 . . . . 0.0 113.025 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.983 1.313 . . . . 0.0 112.145 179.73 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.45 118.08 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.271 1.828 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -151.37 154.96 37.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.045 3.338 . . . . 0.0 109.547 -12.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 61.14 174.3 0.11 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.585 1.554 . . . . 0.0 112.471 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -60.85 122.98 16.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.389 -1.444 . . . . 0.0 110.349 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.94 85.69 7.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 122.025 0.917 . . . . 0.0 111.811 -159.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.87 158.66 29.83 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.787 2.035 . . . . 0.0 110.896 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.01 -126.45 22.35 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.884 0.754 . . . . 0.0 114.384 168.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.4 p -62.25 -33.09 73.95 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -66.16 -40.92 90.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.567 1.076 . . . . 0.0 111.537 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.67 -39.61 88.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.37 0.668 . . . . 0.0 111.84 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.27 -47.0 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.897 0.879 . . . . 0.0 111.602 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.25 -46.65 85.57 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 111.635 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.19 93.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.06 -30.56 66.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.214 -0.929 . . . . 0.0 113.204 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.9 -34.46 77.83 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.015 1.28 . . . . 0.0 112.467 168.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.15 -39.77 68.5 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.121 0.873 . . . . 0.0 113.075 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.48 -39.44 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.004 0.922 . . . . 0.0 112.68 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.5 m -127.92 -3.41 5.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.124 0 CA-C-N 119.761 1.164 . . . . 0.0 113.454 174.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 121.452 0.644 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -102.79 -36.59 8.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.38 1.472 . . . . 0.0 114.036 -166.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -104.57 -40.86 5.88 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.678 1.191 . . . . 0.0 110.975 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -99.5 154.34 18.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.568 1.547 . . . . 0.0 112.27 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -99.31 125.7 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 108.993 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.5 m -97.31 121.42 39.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.929 . . . . 0.0 112.459 -170.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 m -67.05 156.28 36.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.25 1.02 . . . . 0.0 111.176 167.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.34 -26.13 67.61 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.99 -1.069 . . . . 0.0 112.897 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.71 -37.26 58.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.986 1.314 . . . . 0.0 113.185 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.73 -44.25 82.03 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.482 -0.762 . . . . 0.0 110.735 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.91 -37.92 87.33 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.796 0.438 . . . . 0.0 110.983 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.0 -36.62 84.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 170.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -67.98 -28.78 67.73 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.308 -0.87 . . . . 0.0 112.565 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -78.07 -34.72 50.13 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.897 0.771 . . . . 0.0 111.511 172.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.08 -39.62 93.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.929 1.291 . . . . 0.0 112.43 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 127.29 2.236 . . . . 0.0 113.68 176.495 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.39 -20.76 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.106 1.362 . . . . 0.0 113.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.34 -16.03 58.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -170.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.86 177.64 8.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.372 1.469 . . . . 0.0 112.546 -169.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -62.83 156.25 24.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.672 1.189 . . . . 0.0 112.306 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.24 26.39 8.49 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.548 1.139 . . . . 0.0 112.63 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -105.46 149.57 26.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.347 1.859 . . . . 0.0 113.07 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -0.36 60.02 Favored Glycine 0 CA--C 1.55 2.279 0 N-CA-C 119.297 2.479 . . . . 0.0 119.297 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -143.73 151.27 39.8 Favored 'General case' 0 N--CA 1.475 0.803 2 CA-C-N 126.442 5.121 . . . . 0.0 111.835 -5.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -124.96 -14.21 6.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.089 1.756 . . . . 0.0 113.047 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -54.08 -34.48 60.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.511 1.125 . . . . 0.0 114.029 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.37 -38.3 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.791 0.836 . . . . 0.0 112.941 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.2 -44.12 72.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.515 0.726 . . . . 0.0 110.615 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -38.47 76.76 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.093 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.97 -43.15 79.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.706 0.802 . . . . 0.0 112.522 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -63.01 -39.82 95.89 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.96 1.254 . . . . 0.0 111.902 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.5 -9.41 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.52 -40.67 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.018 1.727 . . . . 0.0 112.327 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 t -95.83 -30.26 13.77 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.447 1.499 . . . . 0.0 114.338 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.202 0 C-N-CA 124.623 1.106 . . . . 0.0 112.63 179.544 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 CA--C 1.552 1.044 0 N-CA-C 111.143 0.053 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.292 1.7 p 56.03 148.24 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 130.522 3.529 . . . . 0.0 118.824 168.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 m -66.4 143.84 56.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 130.42 3.488 . . . . 0.0 111.642 -6.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.3 p -103.58 -149.69 0.41 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 131.11 3.764 . . . . 0.0 112.463 2.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.67 118.48 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.079 1.352 . . . . 0.0 109.306 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -78.83 -46.1 19.41 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -169.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t 59.64 167.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.63 -40.2 62.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.088 1.755 . . . . 0.0 112.717 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.21 -36.14 63.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.726 1.211 . . . . 0.0 113.107 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.88 -32.1 19.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.904 0.481 . . . . 0.0 111.935 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.53 -28.15 69.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.68 -24.95 59.37 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -69.57 -22.85 63.5 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.892 -1.13 . . . . 0.0 113.571 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -75.53 -19.33 59.41 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.472 1.109 . . . . 0.0 112.712 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 m -84.2 -3.07 57.92 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.643 1.577 . . . . 0.0 112.962 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -61.74 151.07 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.103 1.361 . . . . 0.0 111.769 164.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.09 59.08 4.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.222 1.009 . . . . 0.0 112.492 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -134.64 171.3 14.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.539 1.536 . . . . 0.0 110.992 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -65.05 -17.35 64.37 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -161.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.24 43.51 26.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.782 1.633 . . . . 0.0 111.248 -165.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.7 164.83 16.73 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.716 1.606 . . . . 0.0 112.298 -169.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.72 -132.0 51.07 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.578 -0.701 . . . . 0.0 112.143 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -59.26 -26.58 65.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.74 -15.67 53.57 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.06 -52.38 65.63 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.849 0.859 . . . . 0.0 111.507 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.91 -33.83 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.3 -41.56 89.55 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.334 0.654 . . . . 0.0 111.928 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.86 79.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.17 0.588 . . . . 0.0 112.325 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.83 -30.44 69.84 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.746 -1.221 . . . . 0.0 113.556 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.04 -11.87 44.09 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 168.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.49 -42.35 6.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.633 1.173 . . . . 0.0 112.397 170.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.43 -44.63 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.86 0.864 . . . . 0.0 112.281 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.4 m -96.73 -33.36 11.74 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.799 0.84 . . . . 0.0 112.814 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.642 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -174.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.4 m . . . . . 0 CA--C 1.544 0.734 0 CA-C-O 121.201 0.524 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -98.12 -40.07 8.59 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.357 1.063 . . . . 0.0 113.459 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -101.58 -28.27 12.62 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.164 1.386 . . . . 0.0 112.145 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 p -95.45 151.66 19.09 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.328 1.851 . . . . 0.0 112.765 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.25 133.64 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.359 1.464 . . . . 0.0 108.87 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.93 109.88 14.12 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.759 0.824 . . . . 0.0 112.605 -167.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 m -65.27 163.35 15.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.101 0.96 . . . . 0.0 110.887 163.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.54 -33.54 70.01 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 112.831 -177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.91 -36.22 69.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.192 0.997 . . . . 0.0 113.181 171.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -78.22 -39.87 39.14 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.841 0.856 . . . . 0.0 111.125 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.02 -32.55 73.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.865 0.866 . . . . 0.0 112.629 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.87 -17.28 49.44 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.35 -32.38 73.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.819 -1.176 . . . . 0.0 112.257 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -77.22 -3.79 41.44 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.437 1.095 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -78.63 -14.67 59.2 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.223 -0.923 . . . . 0.0 112.246 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 126.777 2.031 . . . . 0.0 113.628 -178.264 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.71 -26.71 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.375 1.47 . . . . 0.0 114.298 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -114.95 15.24 17.3 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.167 1.387 . . . . 0.0 113.56 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -142.99 169.26 17.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.016 1.327 . . . . 0.0 112.694 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -66.69 150.26 49.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.223 1.009 . . . . 0.0 111.246 170.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.06 8.1 11.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -48.39 134.93 14.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.988 1.315 . . . . 0.0 114.549 -168.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.46 -137.3 21.59 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.832 0.73 . . . . 0.0 113.13 -173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -60.52 -33.06 72.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -62.01 -30.13 70.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.99 -48.58 57.64 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.814 0.846 . . . . 0.0 111.78 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 119.176 0.898 . . . . 0.0 111.282 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.6 -38.24 86.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.597 0.635 . . . . 0.0 112.675 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.91 75.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.526 0.603 . . . . 0.0 111.783 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.78 -28.36 65.68 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.919 -1.113 . . . . 0.0 113.559 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -64.31 -11.14 29.12 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 167.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -106.73 -42.08 5.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.432 1.493 . . . . 0.0 112.291 172.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.89 -39.4 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.974 1.31 . . . . 0.0 112.199 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -98.43 -12.18 21.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.637 1.175 . . . . 0.0 113.344 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.346 0 C-N-CA 124.305 0.955 . . . . 0.0 113.38 -175.763 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -167.5 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.761 2.424 . . . . 0.0 110.349 162.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -72.43 -28.69 63.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.451 1.1 . . . . 0.0 112.661 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -128.08 163.23 25.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.83 2.052 . . . . 0.0 111.75 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.15 135.62 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.737 1.215 . . . . 0.0 108.918 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 m -110.02 149.24 30.27 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.8 p -82.75 22.44 0.9 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -167.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 62.92 -42.37 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 115.155 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -52.6 -34.85 52.69 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.479 1.512 . . . . 0.0 112.665 168.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -69.9 -27.84 65.12 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.429 -0.794 . . . . 0.0 112.711 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.84 -44.3 64.08 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 169.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.2 -35.9 67.81 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.411 -0.806 . . . . 0.0 112.743 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.19 -21.1 61.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.61 -16.24 62.28 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.7 m -120.81 -19.76 7.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.603 1.561 . . . . 0.0 114.692 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.156 1.382 . . . . 0.0 112.087 -163.447 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 120.637 0.256 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.71 -21.95 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.472 1.509 . . . . 0.0 113.778 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -133.83 13.43 4.01 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.643 1.577 . . . . 0.0 112.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -151.11 157.88 43.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.429 1.891 . . . . 0.0 110.401 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -63.18 153.95 32.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.884 1.274 . . . . 0.0 113.556 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -124.51 144.34 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.946 1.698 . . . . 0.0 108.604 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.79 142.65 30.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.461 1.028 . . . . 0.0 111.023 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.91 -120.67 9.44 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.541 1.067 . . . . 0.0 113.809 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -51.82 -40.82 61.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.229 1.412 . . . . 0.0 113.333 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -67.73 -32.9 73.84 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.454 -0.779 . . . . 0.0 112.661 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -72.56 -41.52 65.66 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.839 -0.538 . . . . 0.0 111.9 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.04 -33.97 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.047 -1.033 . . . . 0.0 111.97 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.87 -30.7 71.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.44 -0.788 . . . . 0.0 112.506 168.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.08 75.88 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.392 -0.818 . . . . 0.0 112.209 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.27 -31.4 72.53 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.905 -1.122 . . . . 0.0 112.893 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.35 -14.95 21.32 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.23 -45.33 4.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.311 1.444 . . . . 0.0 112.622 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.08 -44.57 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 112.127 -173.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.46 -23.49 13.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.044 1.338 . . . . 0.0 112.847 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 C-N-CA 125.925 1.726 . . . . 0.0 117.063 -171.136 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 CA--C 1.547 0.862 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 m -103.45 144.71 31.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.882 2.073 . . . . 0.0 109.546 167.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m 64.22 -35.65 0.17 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 127.196 2.198 . . . . 0.0 115.468 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -119.62 152.73 36.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.576 1.95 . . . . 0.0 111.12 170.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.22 128.36 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.585 1.154 . . . . 0.0 109.742 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.1 m -77.67 150.36 34.54 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.266 1.026 . . . . 0.0 113.054 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -89.1 168.93 11.93 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.828 1.251 . . . . 0.0 112.661 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.0 tp -55.08 -41.35 71.43 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.997 0.919 . . . . 0.0 112.055 170.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.13 -36.6 82.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.299 1.04 . . . . 0.0 112.485 176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.36 -41.61 84.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.121 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.19 -32.47 73.93 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.21 -19.38 65.3 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.77 -16.72 60.08 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.896 -1.128 . . . . 0.0 113.453 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -79.79 -15.31 57.7 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.517 1.127 . . . . 0.0 113.507 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.83 8.03 7.59 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -155.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.465 1.506 . . . . 0.0 112.472 168.711 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.74 136.94 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.341 -0.849 . . . . 0.0 113.192 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -69.31 163.95 23.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.798 2.039 . . . . 0.0 112.181 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.74 -179.63 1.86 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.645 3.578 . . . . 0.0 113.462 -0.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -45.84 131.5 9.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.551 1.54 . . . . 0.0 112.078 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.46 -14.01 57.54 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -165.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -22.74 -45.73 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.904 3.681 . . . . 0.0 118.557 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.43 -140.72 3.07 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.991 1.281 . . . . 0.0 114.115 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -66.29 -19.89 65.95 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.362 -1.081 . . . . 0.0 113.648 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -55.13 -36.38 65.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.533 1.533 . . . . 0.0 111.882 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.16 -56.3 17.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.123 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.81 -31.9 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.034 0.833 . . . . 0.0 112.308 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.65 -42.8 98.06 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.21 0.604 . . . . 0.0 111.916 168.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.76 76.0 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.733 0.813 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -57.94 -43.06 86.09 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.703 1.138 . . . . 0.0 111.513 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.59 -19.23 65.83 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.98 -14.24 45.19 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 112.993 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -107.75 -34.06 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.732 1.613 . . . . 0.0 112.364 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -140.74 147.28 38.92 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.701 1.6 . . . . 0.0 112.427 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.573 0 C-N-CA 127.282 2.372 . . . . 0.0 111.459 173.799 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.34 147.12 23.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.087 1.755 . . . . 0.0 111.836 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p 60.45 -47.08 0.1 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 129.097 2.959 . . . . 0.0 116.202 -178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 p -96.74 151.89 19.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.534 1.534 . . . . 0.0 111.858 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.6 mt -96.64 133.59 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 -171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.42 118.6 31.52 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.166 0.987 . . . . 0.0 111.689 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -79.24 165.5 23.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.258 1.023 . . . . 0.0 110.761 163.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.35 -31.31 67.47 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.222 -0.924 . . . . 0.0 112.812 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -55.33 -35.28 64.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.666 1.186 . . . . 0.0 113.46 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -74.45 -33.41 62.91 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.202 -0.936 . . . . 0.0 111.41 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.03 -38.1 75.77 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.292 0.637 . . . . 0.0 111.042 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.07 -30.59 71.65 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.092 -1.005 . . . . 0.0 112.633 169.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -66.96 -29.56 69.45 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.114 -0.992 . . . . 0.0 112.622 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -77.58 -29.46 52.09 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.171 0.896 . . . . 0.0 112.424 168.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.95 -34.68 73.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.414 1.085 . . . . 0.0 113.077 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.028 1.331 . . . . 0.0 112.128 178.732 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.06 -47.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 128.632 2.773 . . . . 0.0 116.124 168.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.64 -0.79 10.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.729 2.012 . . . . 0.0 113.331 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -138.25 139.77 39.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.608 1.563 . . . . 0.0 111.224 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -64.36 154.34 35.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.043 1.337 . . . . 0.0 112.802 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -129.29 24.8 5.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.273 1.429 . . . . 0.0 112.848 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.85 149.75 47.55 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.702 -1.249 . . . . 0.0 114.209 -172.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.61 -138.64 21.93 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.824 1.202 . . . . 0.0 112.375 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -60.06 -25.8 65.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -59.14 -21.65 59.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.004 0.922 . . . . 0.0 113.143 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.25 -44.9 43.45 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.345 0.975 . . . . 0.0 112.203 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.51 -37.42 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 118.898 0.772 . . . . 0.0 111.155 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.22 -29.58 70.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 -42.16 37.06 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 112.273 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.72 -24.75 67.05 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.338 -0.851 . . . . 0.0 112.806 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.26 -33.57 53.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.594 1.088 . . . . 0.0 112.727 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.67 -21.23 24.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.211 1.404 . . . . 0.0 113.096 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.34 -31.03 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.205 1.402 . . . . 0.0 112.861 -168.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -141.74 -32.26 0.53 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -173.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.243 0 C-N-CA 124.246 0.927 . . . . 0.0 112.416 -175.101 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.11 -36.74 3.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.642 3.577 . . . . 0.0 112.128 -7.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -81.69 -12.89 58.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.193 1.397 . . . . 0.0 114.064 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -107.42 -178.46 3.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.93 1.692 . . . . 0.0 111.425 169.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -91.19 -17.26 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.998 0.919 . . . . 0.0 112.024 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.5 m 61.25 146.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.398 2.679 . . . . 0.0 116.477 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -81.5 155.71 25.65 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.738 1.215 . . . . 0.0 110.629 164.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.68 -31.74 69.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.662 0.785 . . . . 0.0 112.923 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -55.14 -37.17 66.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.32 1.048 . . . . 0.0 113.128 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.61 -33.76 76.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.535 -0.728 . . . . 0.0 111.395 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.61 -37.36 62.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.426 1.09 . . . . 0.0 110.8 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.35 -28.03 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.98 -1.075 . . . . 0.0 113.053 172.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -63.9 -29.15 70.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.771 1.169 . . . . 0.0 112.589 170.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.79 -31.06 35.88 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.967 0.907 . . . . 0.0 112.333 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.03 -35.79 77.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.557 1.143 . . . . 0.0 112.606 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 124.71 1.204 . . . . 0.0 112.407 179.516 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 1.4 p 55.34 -19.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 130.514 3.525 . . . . 0.0 118.758 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.98 -10.19 4.33 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.816 1.646 . . . . 0.0 114.347 -174.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -140.66 136.97 33.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.56 1.544 . . . . 0.0 109.522 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -64.02 142.24 58.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.226 1.41 . . . . 0.0 111.724 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.85 -18.53 34.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -73.13 -20.24 60.97 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -163.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -65.21 3.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.258 0.932 . . . . 0.0 113.613 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -151.02 13.71 0.7 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.787 1.235 . . . . 0.0 113.036 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -113.65 -22.6 10.17 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -156.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.2 -36.63 68.62 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.412 1.485 . . . . 0.0 112.946 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 m -68.01 -38.03 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.255 0.622 . . . . 0.0 112.4 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.6 -39.6 64.47 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 111.103 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.62 94.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.128 0.571 . . . . 0.0 111.591 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.61 -33.83 73.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.291 -0.861 . . . . 0.0 113.197 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -61.36 -39.11 89.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.133 1.333 . . . . 0.0 112.448 168.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.92 -30.91 58.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -88.23 -38.84 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.918 1.287 . . . . 0.0 112.383 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.6 t -85.79 -27.26 25.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.973 . . . . 0.0 113.247 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.721 0 O-C-N 121.201 -0.937 . . . . 0.0 112.352 169.211 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 121.052 0.453 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.38 -33.49 19.12 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.779 1.232 . . . . 0.0 113.61 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -86.99 -41.04 14.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.942 0.897 . . . . 0.0 111.707 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -123.24 150.87 42.91 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.947 1.299 . . . . 0.0 112.199 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.29 137.37 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.633 1.173 . . . . 0.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.74 93.44 4.32 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 122.173 0.987 . . . . 0.0 109.794 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -78.95 37.22 0.3 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.9 2.48 . . . . 0.0 114.569 -171.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt 64.13 -50.56 0.28 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.218 2.607 . . . . 0.0 113.534 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -50.72 -36.23 35.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.448 1.899 . . . . 0.0 113.438 172.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -65.57 -26.76 68.01 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.97 0.908 . . . . 0.0 113.012 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.1 mt -77.82 -27.15 49.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.492 1.117 . . . . 0.0 113.126 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.3 -23.13 55.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.54 1.136 . . . . 0.0 113.472 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -57.84 -25.84 61.23 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.668 1.187 . . . . 0.0 112.994 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -99.5 12.72 35.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 114.299 -175.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.76 1.73 29.13 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.465 1.106 . . . . 0.0 113.981 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 111.061 179.248 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t 48.44 32.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 126.944 2.098 . . . . 0.0 113.888 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 49.21 47.65 21.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.102 1.761 . . . . 0.0 113.459 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.85 161.23 14.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.996 1.319 . . . . 0.0 113.908 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -77.54 95.87 4.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.584 1.154 . . . . 0.0 109.504 159.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.17 85.37 2.39 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.894 0.854 . . . . 0.0 110.363 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.72 131.54 41.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.518 1.527 . . . . 0.0 111.227 -164.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.25 -27.94 0.56 Allowed Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.708 1.623 . . . . 0.0 115.445 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -152.68 -179.49 7.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.069 2.148 . . . . 0.0 110.787 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t60 64.56 -32.63 0.14 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 128.534 2.734 . . . . 0.0 116.745 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -43.98 81.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.472 1.487 . . . . 0.0 113.738 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -36.0 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.754 -0.591 . . . . 0.0 112.113 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.694 0.798 . . . . 0.0 111.214 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.39 98.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.099 0.56 . . . . 0.0 111.742 172.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.59 -33.58 74.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.026 -1.046 . . . . 0.0 113.516 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.46 -33.26 75.18 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.796 1.18 . . . . 0.0 112.649 169.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -81.87 -35.02 29.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.428 1.091 . . . . 0.0 113.283 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.89 -36.57 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.075 1.35 . . . . 0.0 112.09 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -124.34 50.65 1.66 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.768 1.627 . . . . 0.0 112.836 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 O-C-N 118.071 -2.893 . . . . 0.0 112.28 9.336 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.9 p -80.91 8.96 7.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.14 2.576 . . . . 0.0 114.635 -0.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -57.84 -29.38 64.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.67 1.588 . . . . 0.0 113.899 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -128.63 166.69 18.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.965 1.706 . . . . 0.0 110.675 166.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -80.51 78.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 108.532 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -68.75 153.55 43.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -168.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.5 p -92.77 166.89 12.22 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.342 1.457 . . . . 0.0 112.453 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.4 mt -58.56 -33.25 69.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.72 0.808 . . . . 0.0 112.378 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -62.46 -37.37 85.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.823 1.249 . . . . 0.0 112.572 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.81 -38.61 70.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.592 -0.692 . . . . 0.0 111.448 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.08 -26.89 67.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.23 -23.3 63.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.6 1.091 . . . . 0.0 113.895 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -64.93 -22.18 66.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.297 -0.877 . . . . 0.0 113.192 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -81.73 -18.46 44.23 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.303 1.041 . . . . 0.0 113.064 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.8 m -81.11 -19.36 43.77 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -167.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 124.111 0.964 . . . . 0.0 111.824 -179.536 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.58 151.0 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.432 1.493 . . . . 0.0 110.794 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.25 42.33 0.81 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.848 1.259 . . . . 0.0 113.319 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.82 164.86 32.33 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.22 1.408 . . . . 0.0 112.225 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -55.26 129.45 38.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.344 1.058 . . . . 0.0 110.507 169.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.76 13.89 1.95 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -152.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.06 166.7 22.95 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.934 -1.104 . . . . 0.0 112.006 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 40.16 8.07 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.665 -0.647 . . . . 0.0 112.532 -165.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m 64.32 -1.98 0.67 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.701 2.4 . . . . 0.0 117.087 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.47 -35.99 79.18 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.181 1.355 . . . . 0.0 112.393 175.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.43 -37.18 86.61 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.432 1.093 . . . . 0.0 112.052 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -69.46 -47.96 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.455 0.702 . . . . 0.0 110.258 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.94 -37.22 83.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.543 0.737 . . . . 0.0 112.282 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -51.81 59.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.991 0.916 . . . . 0.0 111.658 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.14 -35.06 79.03 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.227 -0.921 . . . . 0.0 112.813 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.58 -20.51 64.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.29 -35.14 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.084 1.353 . . . . 0.0 113.068 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.7 -40.65 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.077 1.351 . . . . 0.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -88.51 -44.75 10.46 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.161 0.584 . . . . 0.0 112.2 175.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.248 0 C-N-CA 123.565 0.603 . . . . 0.0 112.625 175.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m . . . . . 0 CA--C 1.55 0.97 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -121.2 -11.78 8.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.908 1.283 . . . . 0.0 114.43 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -70.18 -33.65 72.0 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.265 -0.897 . . . . 0.0 111.033 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -153.31 164.4 38.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.863 2.065 . . . . 0.0 110.919 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -81.19 103.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -81.37 149.42 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -172.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -76.46 154.08 35.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.751 1.22 . . . . 0.0 111.987 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.69 -27.03 68.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.431 -0.793 . . . . 0.0 112.175 173.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.85 -36.13 82.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.438 -0.789 . . . . 0.0 112.39 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.27 -35.88 74.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.386 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.3 mt -64.83 -39.45 93.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.09 -20.51 62.69 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.755 -1.216 . . . . 0.0 113.557 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.23 -6.24 58.64 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.3 -39.97 64.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.857 1.208 . . . . 0.0 111.281 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -87.66 78.99 8.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 123.67 1.7 . . . . 0.0 111.958 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.92 -178.596 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -143.79 139.29 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.285 1.434 . . . . 0.0 110.873 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 53.97 26.83 6.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.795 1.638 . . . . 0.0 114.638 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -145.24 156.94 44.14 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.106 1.362 . . . . 0.0 112.662 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -69.15 152.92 44.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.431 1.092 . . . . 0.0 110.823 164.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -120.14 -5.56 9.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 -162.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 p -61.63 140.11 58.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.377 1.444 . . . . 0.0 113.022 -169.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.37 -145.06 18.81 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.746 0.688 . . . . 0.0 111.843 -160.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -63.42 -31.36 72.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -64.14 -35.7 81.64 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.153 0.888 . . . . 0.0 113.106 -174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.84 -39.88 79.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.422 1.089 . . . . 0.0 110.89 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -67.95 -45.11 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.65 0.78 . . . . 0.0 110.701 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.74 -40.72 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.609 -0.682 . . . . 0.0 112.079 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.43 80.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.961 0.504 . . . . 0.0 111.52 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.07 -30.65 69.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.075 -1.016 . . . . 0.0 113.287 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -66.21 -11.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.87 -32.53 6.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.926 1.29 . . . . 0.0 113.169 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -82.89 -40.6 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.103 1.361 . . . . 0.0 111.966 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.8 m -110.31 -6.42 15.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 113.797 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.337 0 C-N-CA 125.072 1.32 . . . . 0.0 114.372 179.098 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 122.49 1.138 . . . . 0.0 113.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -136.22 -36.14 0.74 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.373 1.869 . . . . 0.0 111.903 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -69.26 -28.9 66.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.723 1.209 . . . . 0.0 111.951 174.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.82 170.03 19.72 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.162 1.785 . . . . 0.0 111.076 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -89.69 130.2 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.526 1.53 . . . . 0.0 109.34 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.6 m -97.29 137.21 36.65 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -75.0 158.51 33.12 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.504 1.121 . . . . 0.0 111.278 165.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.3 mm? -61.02 -34.69 75.23 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.211 -0.931 . . . . 0.0 112.112 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.27 -37.82 78.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.787 0.835 . . . . 0.0 112.407 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.02 -40.3 71.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.211 0.605 . . . . 0.0 110.529 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.02 -34.2 77.85 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.04 -33.09 74.78 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.03 -1.044 . . . . 0.0 113.045 171.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.36 -25.58 67.64 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.19 -31.75 72.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.331 1.052 . . . . 0.0 112.97 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 t -94.2 -34.89 12.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.532 1.133 . . . . 0.0 112.967 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 124.808 1.243 . . . . 0.0 112.131 -178.88 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 p90 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -85.66 -21.68 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.733 1.213 . . . . 0.0 112.454 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -125.33 9.57 7.91 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.239 1.815 . . . . 0.0 113.862 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -148.23 160.58 42.8 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.393 1.477 . . . . 0.0 112.036 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -72.68 155.13 40.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.358 1.063 . . . . 0.0 110.762 166.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.6 -62.05 1.48 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.969 0.908 . . . . 0.0 110.556 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.0 m 62.26 -129.31 0.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.31 1.844 . . . . 0.0 113.637 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.83 -6.48 67.45 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.099 1.333 . . . . 0.0 115.396 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -125.43 179.52 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.321 1.848 . . . . 0.0 109.754 168.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.0 m80 62.34 -34.16 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.726 2.41 . . . . 0.0 117.484 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.29 -55.2 37.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.465 1.506 . . . . 0.0 113.477 -162.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -39.6 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 122.012 -0.43 . . . . 0.0 111.248 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.63 -49.62 62.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.335 0.654 . . . . 0.0 111.7 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -42.76 93.14 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.319 1.048 . . . . 0.0 111.967 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.12 -38.1 87.37 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.719 -0.613 . . . . 0.0 111.894 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -72.53 -36.47 68.32 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.0 -42.52 94.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 112.23 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.14 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.83 0.852 . . . . 0.0 111.622 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.64 0.85 18.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 170.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.372 0 C-N-CA 126.553 2.025 . . . . 0.0 114.585 178.589 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.2 -25.19 1.37 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -163.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -73.63 -39.45 64.52 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.191 -0.943 . . . . 0.0 111.212 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.6 m -130.42 156.21 45.13 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.373 1.869 . . . . 0.0 110.515 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 10' ' ' ILE . 2.4 mp -75.33 118.76 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.05 129.32 39.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.241 0.543 . . . . 0.0 111.959 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -68.02 157.21 35.65 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.998 0.919 . . . . 0.0 110.844 165.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.84 -30.37 67.62 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.145 -0.972 . . . . 0.0 112.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -59.83 -35.58 75.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.073 0.949 . . . . 0.0 112.786 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -77.55 -34.31 53.86 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.397 -0.814 . . . . 0.0 110.963 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.53 -42.92 91.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.489 0.316 . . . . 0.0 111.008 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.8 -34.23 71.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.453 1.101 . . . . 0.0 112.419 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.06 -24.01 65.93 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.338 -0.851 . . . . 0.0 112.955 173.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -80.91 -33.26 34.3 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.563 1.074 . . . . 0.0 112.178 168.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.7 m -74.89 -20.76 59.58 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.346 1.858 . . . . 0.0 110.651 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.27 129.46 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.431 -0.793 . . . . 0.0 112.915 -166.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -141.23 111.32 6.69 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.418 1.487 . . . . 0.0 109.382 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.51 145.7 54.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.151 2.58 . . . . 0.0 112.491 -1.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -149.5 19.46 0.93 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.226 3.01 . . . . 0.0 113.703 -0.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt 46.77 -133.1 1.11 Allowed 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.251 -0.905 . . . . 0.0 110.48 -149.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t 55.12 -177.12 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.872 1.669 . . . . 0.0 113.451 -168.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.71 -138.85 43.65 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.736 1.16 . . . . 0.0 113.207 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -68.32 -30.95 70.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.536 0.734 . . . . 0.0 112.841 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -70.72 -29.7 66.03 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.934 -1.103 . . . . 0.0 113.169 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.42 -45.42 91.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.612 0.642 . . . . 0.0 112.338 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.63 -36.48 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.777 -0.577 . . . . 0.0 111.456 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.81 -31.09 72.15 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.07 -48.11 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.108 0.867 . . . . 0.0 111.601 168.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.82 -29.88 71.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.269 -0.894 . . . . 0.0 113.006 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -56.01 -27.75 54.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.485 1.114 . . . . 0.0 113.11 172.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.28 -46.32 5.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.811 1.244 . . . . 0.0 111.928 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.47 -38.7 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.859 0.863 . . . . 0.0 111.7 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.15 6.45 11.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.598 0 O-C-N 121.118 -0.989 . . . . 0.0 113.924 169.259 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.9 m . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.19 -26.23 39.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.723 1.209 . . . . 0.0 112.96 175.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -121.08 -38.54 2.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.201 1.4 . . . . 0.0 112.846 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 m -94.4 154.79 17.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -95.53 110.28 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 114.61 15.97 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.806 0.843 . . . . 0.0 112.128 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -66.89 161.74 23.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 111.03 165.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -40.86 76.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.518 1.127 . . . . 0.0 111.193 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.76 -36.8 74.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.64 1.176 . . . . 0.0 113.121 172.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -75.08 -32.92 61.6 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.067 -1.021 . . . . 0.0 112.049 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.82 -37.31 87.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.072 0.396 . . . . 0.0 111.636 170.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.29 -30.19 71.38 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.027 -1.046 . . . . 0.0 112.543 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.6 -8.42 47.26 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -74.19 -19.38 60.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.349 0.977 . . . . 0.0 112.618 165.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.2 m -119.05 -21.59 7.6 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.122 1.769 . . . . 0.0 112.939 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.331 2.253 . . . . 0.0 112.712 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.67 -26.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.136 1.374 . . . . 0.0 113.663 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -82.0 -21.25 37.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.488 1.115 . . . . 0.0 113.766 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -139.1 169.11 18.39 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.762 1.625 . . . . 0.0 111.334 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -61.59 143.21 56.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.26 121.36 40.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.68 1.592 . . . . 0.0 108.518 173.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -156.26 136.45 12.91 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.45 -39.08 0.72 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.375 1.941 . . . . 0.0 114.889 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -135.27 167.65 20.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.81 2.444 . . . . 0.0 110.699 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 63.42 -28.87 0.09 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.264 2.626 . . . . 0.0 117.676 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.3 tp -56.15 -47.48 78.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.269 1.395 . . . . 0.0 112.228 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.45 -36.47 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 123.276 0.63 . . . . 0.0 112.269 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.91 -44.91 68.71 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 111.082 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.74 89.56 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.578 0.751 . . . . 0.0 111.53 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -66.61 -41.77 87.89 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.58 -30.09 70.3 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.36 0.982 . . . . 0.0 113.174 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.76 -36.14 50.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.825 0.85 . . . . 0.0 112.849 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.66 -46.6 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.855 1.262 . . . . 0.0 111.208 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -91.67 53.61 2.28 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.885 1.274 . . . . 0.0 111.229 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.352 0 C-N-CA 124.784 1.183 . . . . 0.0 115.274 -170.685 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 CA--C 1.553 1.065 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.56 -24.83 61.17 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.808 -1.183 . . . . 0.0 112.861 169.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -126.6 -35.21 2.36 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.248 1.419 . . . . 0.0 113.366 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -90.98 176.12 6.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.24 1.416 . . . . 0.0 110.828 162.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -117.87 138.41 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.602 1.161 . . . . 0.0 110.251 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -132.21 166.63 21.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.927 1.691 . . . . 0.0 112.326 -172.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -137.87 178.8 6.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.002 1.321 . . . . 0.0 111.669 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.86 -42.98 38.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.124 1.77 . . . . 0.0 112.925 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -57.87 -34.89 70.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.332 1.053 . . . . 0.0 113.413 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -80.02 -41.22 26.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.66 0.784 . . . . 0.0 111.125 176.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -26.8 67.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -58.12 -29.07 65.23 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.245 -0.91 . . . . 0.0 113.187 170.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -16.0 62.8 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.868 1.213 . . . . 0.0 113.552 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.04 -13.91 59.89 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.924 1.29 . . . . 0.0 113.414 175.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.96 -40.94 0.22 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -170.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 111.655 179.734 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.278 5.6 p 53.61 -44.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 1 C-N-CA 132.437 4.295 . . . . 0.0 118.471 168.472 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -122.42 -7.71 8.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.88 2.072 . . . . 0.0 112.714 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -133.83 150.14 51.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.987 1.315 . . . . 0.0 113.131 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -66.75 157.14 33.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.669 1.987 . . . . 0.0 113.24 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -137.07 121.96 18.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.648 1.579 . . . . 0.0 109.919 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -142.78 149.64 38.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.552 1.141 . . . . 0.0 111.403 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.46 -132.44 42.98 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 123.836 0.731 . . . . 0.0 113.673 175.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.04 -33.81 67.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.239 1.016 . . . . 0.0 113.563 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -69.03 -34.31 75.02 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.408 -0.807 . . . . 0.0 112.11 177.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -38.06 73.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.121 0.568 . . . . 0.0 111.56 171.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.64 -44.85 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.096 0.862 . . . . 0.0 111.174 174.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.98 -42.72 97.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.501 -0.75 . . . . 0.0 112.189 174.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.62 90.55 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.52 -0.738 . . . . 0.0 112.587 175.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.83 -38.33 86.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.024 0.93 . . . . 0.0 111.963 174.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -70.14 -26.04 63.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.41 -34.47 76.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.489 1.116 . . . . 0.0 112.933 169.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.4 t -92.4 -46.04 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.743 -174.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.66 96.73 6.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.93 1.292 . . . . 0.0 109.457 174.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.399 0 C-N-CA 123.903 0.764 . . . . 0.0 114.208 -177.023 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.4 142.23 34.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.114 1.324 . . . . 0.0 111.157 168.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p 54.15 17.91 1.6 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.027 1.731 . . . . 0.0 114.703 -170.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -153.29 151.94 30.58 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.642 1.977 . . . . 0.0 111.065 -171.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.1 mt -76.06 133.89 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.553 0.741 . . . . 0.0 110.901 -173.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -134.64 140.3 45.95 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.239 1.016 . . . . 0.0 113.121 171.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.66 158.64 32.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.932 1.293 . . . . 0.0 111.197 162.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.85 -21.26 65.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.162 -0.961 . . . . 0.0 113.477 171.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.57 -30.18 70.5 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 112.232 167.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.02 -33.18 17.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.187 0.995 . . . . 0.0 111.292 -178.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.25 -21.98 60.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 173.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.9 -22.37 25.31 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 169.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -64.5 -24.63 67.68 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.14 1.336 . . . . 0.0 113.138 175.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -75.67 -13.66 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 112.796 171.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.8 -48.37 2.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.816 1.246 . . . . 0.0 113.422 -166.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.512 1.125 . . . . 0.0 111.788 -169.761 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.43 -13.48 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.654 1.582 . . . . 0.0 113.476 -168.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -137.77 20.26 2.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.95 1.7 . . . . 0.0 113.528 -171.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -139.18 170.15 16.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.408 1.483 . . . . 0.0 112.341 -177.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -77.9 -11.19 59.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 59.39 -34.9 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 130.732 3.613 . . . . 0.0 118.852 171.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -80.64 138.4 36.41 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.896 -1.752 . . . . 0.0 113.416 -159.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.45 -31.57 8.81 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 128.07 2.748 . . . . 0.0 114.807 -7.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.51 -50.49 58.56 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.178 0.989 . . . . 0.0 113.015 -167.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -68.06 -29.09 67.97 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.576 -0.702 . . . . 0.0 112.356 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.34 -47.61 78.7 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.658 1.183 . . . . 0.0 110.704 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.58 -44.3 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.577 0.751 . . . . 0.0 111.293 176.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.34 -39.92 95.87 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.469 -0.769 . . . . 0.0 112.835 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.46 85.81 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.646 -0.659 . . . . 0.0 111.801 174.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.73 -23.72 62.49 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -74.02 -3.62 30.39 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 167.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -116.63 -39.72 3.28 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.159 1.384 . . . . 0.0 112.86 176.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.58 -30.37 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.233 1.413 . . . . 0.0 111.272 173.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -128.83 -165.88 1.56 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.55 1.94 . . . . 0.0 109.536 169.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 C-N-CA 125.622 1.582 . . . . 0.0 113.496 -178.605 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.8 137.61 54.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.349 1.46 . . . . 0.0 110.265 -173.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.264 14.3 p 55.51 -34.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 128.653 2.781 . . . . 0.0 115.974 -161.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -90.69 152.76 20.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.829 1.652 . . . . 0.0 111.615 160.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.82 146.86 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.465 1.506 . . . . 0.0 112.192 -168.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.76 166.47 22.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.092 1.357 . . . . 0.0 113.256 178.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -141.12 172.26 12.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.722 2.009 . . . . 0.0 110.475 171.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.67 -29.6 62.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 176.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.12 -28.36 70.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.069 0.948 . . . . 0.0 113.091 171.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.66 -47.17 27.48 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.607 -0.683 . . . . 0.0 109.879 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.97 -44.05 94.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.672 0.389 . . . . 0.0 111.535 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.79 -23.98 66.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.131 -0.981 . . . . 0.0 113.618 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -82.02 -28.0 32.77 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.031 1.332 . . . . 0.0 112.451 174.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -72.76 -30.16 63.91 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.28 -0.887 . . . . 0.0 112.068 174.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.1 m -66.91 -39.15 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.669 0.788 . . . . 0.0 112.828 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.026 1.33 . . . . 0.0 110.873 174.575 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.85 129.43 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.464 1.506 . . . . 0.0 111.435 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.02 38.43 12.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.91 2.084 . . . . 0.0 113.876 178.6 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 169.25 21.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 113.211 -175.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -72.73 143.66 47.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.806 169.015 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 tp -144.99 62.53 1.3 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.177 1.391 . . . . 0.0 110.442 -174.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.11 163.82 27.58 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.255 1.022 . . . . 0.0 112.587 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.74 -155.96 49.66 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.451 1.024 . . . . 0.0 115.448 167.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -60.99 -23.5 65.43 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.764 1.226 . . . . 0.0 114.135 -175.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -59.94 -27.22 66.6 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.085 0.954 . . . . 0.0 112.618 174.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.41 -51.13 62.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.07 0.948 . . . . 0.0 112.07 177.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -72.17 -32.43 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.057 0.543 . . . . 0.0 112.388 -177.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -63.73 -45.75 88.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.02 0.528 . . . . 0.0 111.353 170.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.88 82.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 112.511 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.84 -44.91 96.32 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.405 -0.809 . . . . 0.0 111.74 174.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.54 -36.53 84.5 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 172.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.35 -35.05 73.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.167 0.894 . . . . 0.0 113.403 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -74.26 -47.25 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.472 1.109 . . . . 0.0 111.448 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.51 -27.69 20.14 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -168.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 C-N-CA 124.552 1.072 . . . . 0.0 114.287 168.379 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.7 -38.74 6.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.161 1.785 . . . . 0.0 111.956 167.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -82.56 -28.99 30.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.376 1.07 . . . . 0.0 112.812 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -133.3 -178.56 5.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.731 2.012 . . . . 0.0 110.725 173.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mt -111.74 129.28 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.202 1.401 . . . . 0.0 109.762 -170.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.02 138.02 45.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.216 1.006 . . . . 0.0 113.639 -170.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -89.8 162.99 15.24 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.961 1.704 . . . . 0.0 112.235 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.8 -36.39 74.4 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.046 0.938 . . . . 0.0 113.458 -172.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.7 -37.63 76.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.491 1.116 . . . . 0.0 112.728 175.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.3 -31.69 71.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 111.078 178.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.2 -43.06 65.06 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.119 0.568 . . . . 0.0 111.273 175.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.89 -31.58 66.89 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.275 -0.891 . . . . 0.0 112.896 173.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.16 -20.82 65.8 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 177.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -85.24 -25.44 27.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.277 0.944 . . . . 0.0 112.851 170.057 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -80.25 -30.18 38.43 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.495 1.118 . . . . 0.0 112.913 175.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.25 1.42 . . . . 0.0 112.464 178.075 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.284 12.2 m 52.33 -7.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 130.223 3.409 . . . . 0.0 118.766 172.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -157.03 135.02 11.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.455 1.902 . . . . 0.0 109.759 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -78.96 -152.57 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.57 2.748 . . . . 0.0 110.838 -8.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -51.33 146.82 6.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.554 1.942 . . . . 0.0 112.434 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.9 mt -88.53 12.22 15.07 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.183 0.993 . . . . 0.0 113.451 -174.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.65 164.03 20.11 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.42 -1.425 . . . . 0.0 113.05 -178.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.49 41.81 24.06 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 113.273 -174.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m 62.69 7.91 2.74 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.123 2.169 . . . . 0.0 116.658 -178.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -68.02 -27.93 66.97 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.582 -1.324 . . . . 0.0 111.614 169.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.91 -48.26 82.06 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.046 1.738 . . . . 0.0 112.945 177.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.51 -36.43 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.467 0.576 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.61 -43.86 97.75 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.84 -0.537 . . . . 0.0 111.445 171.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.16 98.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.35 0.66 . . . . 0.0 111.737 174.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.46 -46.56 89.53 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.148 0.979 . . . . 0.0 112.235 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.09 -44.61 96.3 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.968 0.507 . . . . 0.0 112.164 177.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.41 -31.65 65.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -71.88 -47.32 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.256 1.022 . . . . 0.0 111.513 175.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -88.97 -32.03 17.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -169.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.502 0 N-CA-C 116.785 1.474 . . . . 0.0 116.785 161.021 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 118.48 -0.771 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m 37.51 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.444 3.498 . . . . 0.0 117.266 170.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -61.64 -22.44 65.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.56 1.544 . . . . 0.0 112.798 175.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -129.95 160.43 33.62 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.921 1.688 . . . . 0.0 113.039 176.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.3 mt -91.82 108.82 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.502 1.121 . . . . 0.0 108.235 175.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -72.75 141.13 48.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -88.33 163.95 15.79 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.264 1.426 . . . . 0.0 110.946 161.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -53.02 -41.28 64.56 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.336 1.455 . . . . 0.0 112.089 -177.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.88 -35.74 64.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.535 1.134 . . . . 0.0 113.496 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -79.44 -35.86 39.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.105 0.962 . . . . 0.0 111.128 178.061 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.02 -34.29 75.93 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.65 0.78 . . . . 0.0 112.293 176.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.44 -22.95 64.02 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.21 -32.39 71.63 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.065 -1.022 . . . . 0.0 112.653 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -76.43 -9.35 58.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.285 1.034 . . . . 0.0 113.327 178.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 m -75.3 -13.85 60.45 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.718 1.207 . . . . 0.0 111.979 -179.246 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.87 -45.12 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.119 1.768 . . . . 0.0 112.838 -176.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -156.22 158.63 37.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.145 0.978 . . . . 0.0 112.73 -172.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -92.74 88.36 6.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.763 1.225 . . . . 0.0 109.889 162.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -121.4 173.61 7.26 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.26 3.424 . . . . 0.0 112.335 8.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.38 86.83 5.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 110.343 173.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -140.85 151.61 44.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.559 1.144 . . . . 0.0 110.243 174.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.63 -128.44 47.46 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.601 -0.687 . . . . 0.0 112.623 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -58.68 -32.44 69.13 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -69.19 -34.13 74.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.201 0.91 . . . . 0.0 112.766 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.73 -43.2 80.55 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.044 0.538 . . . . 0.0 110.888 170.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.33 -46.56 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.392 0.677 . . . . 0.0 111.059 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.6 -45.05 95.73 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.922 0.783 . . . . 0.0 112.279 173.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.55 93.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.986 0.514 . . . . 0.0 112.343 178.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.11 -33.36 59.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.341 -0.838 . . . . 0.0 113.056 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.38 -32.63 71.48 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.68 1.582 . . . . 0.0 112.541 171.061 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.74 -15.13 59.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -120.02 -44.04 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.625 1.17 . . . . 0.0 112.979 -172.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.8 -20.94 13.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.58 1.552 . . . . 0.0 114.079 -178.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.769 0 C-N-CA 124.43 1.014 . . . . 0.0 114.613 -168.11 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 120.953 0.406 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 44.38 -88.67 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.93 3.292 . . . . 0.0 116.703 165.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -73.19 -16.14 61.43 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.528 1.131 . . . . 0.0 113.287 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -106.9 161.99 14.22 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.806 1.642 . . . . 0.0 112.09 172.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.71 129.26 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.436 1.494 . . . . 0.0 109.466 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m -115.36 84.47 2.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.989 0.915 . . . . 0.0 110.553 174.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -66.16 171.24 4.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.668 1.187 . . . . 0.0 111.991 170.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -46.32 -41.45 13.31 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.48 -39.02 89.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.25 -31.96 58.61 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 111.857 175.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.94 -32.98 74.95 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.987 -0.445 . . . . 0.0 112.03 171.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.7 -24.76 61.04 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 113.17 166.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -67.12 -28.6 68.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.643 -1.286 . . . . 0.0 112.337 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -63.14 -16.05 58.77 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.995 -1.066 . . . . 0.0 113.75 171.405 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.66 -14.54 59.96 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.741 1.216 . . . . 0.0 111.737 -179.903 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -67.01 -16.76 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -163.262 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -152.01 50.18 0.79 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.737 2.015 . . . . 0.0 110.18 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -132.31 160.94 34.79 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -168.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -66.18 132.37 48.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.688 1.195 . . . . 0.0 110.341 162.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.2 mt -137.88 96.76 3.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.978 0.911 . . . . 0.0 110.995 -173.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.56 -151.76 0.21 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.191 1.396 . . . . 0.0 111.952 -177.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.23 135.83 39.85 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.951 -1.093 . . . . 0.0 111.227 165.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 p 59.35 162.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.367 1.867 . . . . 0.0 114.415 -161.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 63.02 -38.01 0.16 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.725 2.41 . . . . 0.0 116.0 -172.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.28 -40.91 78.73 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.896 1.226 . . . . 0.0 111.439 167.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.66 -49.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.032 1.333 . . . . 0.0 110.172 176.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.44 -38.87 85.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.77 0.828 . . . . 0.0 111.928 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.29 99.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.721 0.809 . . . . 0.0 112.024 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -71.29 -33.83 70.09 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.708 -1.245 . . . . 0.0 113.078 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.81 6.77 2.97 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 169.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.97 -8.55 10.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.636 1.574 . . . . 0.0 113.821 167.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -126.36 -55.65 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.807 1.243 . . . . 0.0 113.189 -173.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.5 t -85.55 -33.39 21.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.654 0.661 . . . . 0.0 112.336 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 C-N-CA 125.234 1.397 . . . . 0.0 112.233 171.501 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 CA--C 1.547 0.834 0 CA-C-O 121.294 0.568 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -87.11 -25.71 24.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.255 1.422 . . . . 0.0 111.896 177.012 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -117.63 136.14 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.789 1.636 . . . . 0.0 109.027 162.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t 56.58 153.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.693 1.197 . . . . 0.0 113.584 -148.372 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.2 mt -89.6 -24.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.583 1.153 . . . . 0.0 111.822 -173.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m 62.01 160.43 0.07 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.303 2.241 . . . . 0.0 115.917 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -97.64 153.41 18.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.559 1.544 . . . . 0.0 110.629 164.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -25.19 68.14 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.056 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.14 -34.77 66.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.775 0.83 . . . . 0.0 112.853 171.061 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -71.08 -36.86 72.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.42 -0.8 . . . . 0.0 111.027 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.33 -45.76 79.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.615 0.766 . . . . 0.0 110.721 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.69 -33.71 68.66 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.519 -0.738 . . . . 0.0 112.411 172.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.61 -23.62 64.48 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.223 -0.923 . . . . 0.0 113.453 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.0 -11.73 60.9 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.838 -1.164 . . . . 0.0 113.207 169.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -109.77 -0.53 18.41 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.413 2.285 . . . . 0.0 113.276 175.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 126.12 1.768 . . . . 0.0 112.024 -174.335 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.54 0.564 0 CA-C-O 121.167 0.508 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -112.62 -1.8 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.951 1.7 . . . . 0.0 111.535 161.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -123.84 5.31 8.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.684 1.994 . . . . 0.0 112.656 173.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -144.04 142.91 30.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.945 1.698 . . . . 0.0 110.585 178.577 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -65.47 152.16 44.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.113 1.765 . . . . 0.0 113.45 -174.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.36 96.51 6.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.818 1.647 . . . . 0.0 110.097 176.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -95.55 -168.91 1.86 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.373 1.469 . . . . 0.0 112.15 176.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.77 137.86 30.71 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 121.301 -0.874 . . . . 0.0 113.348 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m 61.83 -39.89 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.662 2.385 . . . . 0.0 115.86 -167.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -61.75 -41.8 98.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.039 1.291 . . . . 0.0 111.731 176.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.5 -36.91 85.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.182 1.393 . . . . 0.0 112.4 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.73 -47.86 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.453 0.701 . . . . 0.0 110.147 177.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.81 -39.95 95.84 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.277 0.631 . . . . 0.0 112.081 174.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.78 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.361 0.664 . . . . 0.0 112.324 176.039 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.39 -39.23 91.97 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.356 -0.84 . . . . 0.0 112.334 178.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.52 -17.31 64.74 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.52 -43.56 10.15 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.493 1.117 . . . . 0.0 112.4 171.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.13 -40.04 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.944 1.297 . . . . 0.0 112.529 -174.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -86.7 5.3 36.84 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.805 0 CA-C-N 120.064 1.302 . . . . 0.0 111.118 170.083 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 122.212 1.006 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 153.25 25.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.549 1.94 . . . . 0.0 112.579 -171.186 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.304 4.4 t 56.23 -43.83 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 130.098 3.359 . . . . 0.0 116.981 -176.17 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 p -109.13 155.35 21.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.176 1.791 . . . . 0.0 111.582 167.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mt -93.79 123.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 110.709 -175.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -75.66 154.19 36.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.074 1.75 . . . . 0.0 111.699 172.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.2 p -80.83 154.56 27.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.212 -0.93 . . . . 0.0 111.099 165.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.06 -30.92 69.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.01 0.924 . . . . 0.0 112.513 -177.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -53.33 -32.9 51.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.645 1.578 . . . . 0.0 113.616 171.258 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -71.5 -26.87 62.86 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.187 -0.946 . . . . 0.0 112.253 -177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.12 -25.63 67.07 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.347 1.059 . . . . 0.0 112.818 -177.512 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.46 -31.56 69.43 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.525 1.13 . . . . 0.0 113.137 170.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.89 -28.16 68.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.257 -0.902 . . . . 0.0 112.877 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.24 -25.58 65.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.099 . . . . 0.0 112.568 173.215 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 t -83.23 -24.29 32.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.636 1.174 . . . . 0.0 112.507 178.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 p30 . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 125.55 1.54 . . . . 0.0 111.763 177.46 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.83 106.87 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 125.407 1.483 . . . . 0.0 110.709 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -132.49 149.47 52.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.759 2.824 . . . . 0.0 112.221 -5.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -157.64 -177.96 6.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.997 2.119 . . . . 0.0 110.728 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -71.18 131.11 43.05 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.106 -0.996 . . . . 0.0 109.925 160.194 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -107.53 78.37 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.22 1.008 . . . . 0.0 108.359 172.022 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -145.05 130.09 18.4 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.182 1.393 . . . . 0.0 110.915 -176.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.13 -32.91 0.53 Allowed Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.868 1.699 . . . . 0.0 115.684 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -145.13 170.5 16.11 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.044 2.137 . . . . 0.0 110.772 174.096 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m80 60.2 -22.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.766 2.826 . . . . 0.0 117.081 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.3 tp -52.08 -51.83 55.17 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.624 1.57 . . . . 0.0 112.94 -172.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.6 -48.96 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.235 0.925 . . . . 0.0 112.492 -173.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.3 -37.66 83.73 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.222 -0.924 . . . . 0.0 112.065 176.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.225 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -68.87 -49.45 58.17 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.412 -0.805 . . . . 0.0 111.507 171.444 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -62.84 -40.78 98.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.598 0.759 . . . . 0.0 112.875 -172.323 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.26 -17.03 61.37 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -85.44 -45.16 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.146 0.978 . . . . 0.0 111.412 177.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 t -81.91 -16.6 50.05 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 176.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.532 0 C-N-CA 125.433 1.492 . . . . 0.0 115.849 172.775 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -143.75 160.1 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.242 2.217 . . . . 0.0 110.355 174.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.301 3.2 t 57.02 -42.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 130.301 3.44 . . . . 0.0 117.307 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.6 m -93.04 153.7 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.712 163.565 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -95.74 114.07 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.888 0.875 . . . . 0.0 109.207 -179.462 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -76.45 146.81 38.32 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.022 1.329 . . . . 0.0 113.106 -178.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.48 165.81 13.59 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.082 1.353 . . . . 0.0 111.32 168.186 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.28 -29.64 64.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.869 0.868 . . . . 0.0 112.736 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -53.45 -37.14 62.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.697 1.199 . . . . 0.0 113.171 173.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -73.27 -35.18 66.15 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.529 -0.732 . . . . 0.0 111.469 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -71.43 -40.91 70.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.362 0.665 . . . . 0.0 111.056 175.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.21 -28.32 69.06 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.177 -0.952 . . . . 0.0 112.792 173.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -67.95 -30.52 69.84 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.114 0.87 . . . . 0.0 112.717 173.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -76.61 -33.94 58.4 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.259 170.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.8 m -66.44 -37.47 85.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.823 0.849 . . . . 0.0 112.606 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 125.869 1.668 . . . . 0.0 110.57 178.18 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.548 0.689 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t 64.9 -35.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 127.884 2.474 . . . . 0.0 114.399 -167.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.8 -34.5 77.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.297 1.439 . . . . 0.0 112.367 165.318 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -154.02 169.04 24.46 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.84 1.656 . . . . 0.0 111.697 -172.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -61.73 153.94 26.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.969 1.308 . . . . 0.0 113.409 -177.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.73 20.68 12.81 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.699 1.6 . . . . 0.0 113.079 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.14 151.55 42.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.558 1.543 . . . . 0.0 114.48 -170.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.32 -85.29 1.57 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.899 1.238 . . . . 0.0 111.702 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 70.0 m -133.64 -13.27 2.6 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -178.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.5 -27.12 69.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.902 1.228 . . . . 0.0 113.123 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -63.41 -26.02 68.55 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 173.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.68 -44.19 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.387 0.994 . . . . 0.0 110.179 174.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.83 -29.74 70.26 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.382 0.673 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.95 -44.05 56.22 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.329 1.052 . . . . 0.0 112.262 169.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.93 -35.93 79.85 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.262 1.025 . . . . 0.0 112.268 -178.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.23 -6.08 12.5 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.184 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.1 -22.24 10.12 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.619 1.567 . . . . 0.0 113.333 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -78.94 -35.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.445 1.098 . . . . 0.0 110.851 169.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 p -141.68 76.93 1.57 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.933 2.093 . . . . 0.0 110.735 165.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 O-C-N 118.366 -2.709 . . . . 0.0 114.809 -0.633 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 40.59 -91.31 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.757 2.823 . . . . 0.0 115.93 176.174 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 m -61.99 -25.13 67.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.498 1.519 . . . . 0.0 112.855 177.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -105.22 153.59 21.37 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.1 1.76 . . . . 0.0 112.043 175.1 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.94 143.35 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.427 1.091 . . . . 0.0 110.625 177.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 m -132.87 162.73 30.8 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.634 1.574 . . . . 0.0 112.422 177.506 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -144.84 177.6 8.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.517 2.327 . . . . 0.0 109.148 173.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.43 -41.95 41.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.132 1.373 . . . . 0.0 113.04 -177.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -57.77 -35.78 71.25 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.707 1.203 . . . . 0.0 113.327 176.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -80.54 -38.07 30.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.787 0.835 . . . . 0.0 111.242 176.516 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.4 -35.24 79.82 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.453 0.701 . . . . 0.0 112.67 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.71 -34.85 54.27 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.687 1.195 . . . . 0.0 112.942 170.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.45 -16.38 62.92 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 -24.58 44.82 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.11 0.868 . . . . 0.0 113.161 176.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -114.97 -31.16 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.779 0.831 . . . . 0.0 111.619 176.908 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.538 0.685 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.23 -28.53 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.323 1.449 . . . . 0.0 112.642 -177.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 48.76 36.46 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.963 2.105 . . . . 0.0 114.721 174.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -141.23 106.78 5.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.282 1.833 . . . . 0.0 108.844 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.6 m80 49.71 50.92 17.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.52 1.528 . . . . 0.0 114.669 167.321 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.08 111.25 1.25 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.532 1.133 . . . . 0.0 111.302 -173.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -143.24 151.04 40.12 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.93 1.292 . . . . 0.0 110.961 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.96 -127.37 40.97 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 123.434 0.54 . . . . 0.0 112.297 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -49.09 -43.77 41.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.333 . . . . 0.0 113.123 177.683 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.98 -21.07 62.35 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -176.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -86.77 -47.9 8.7 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.213 0.605 . . . . 0.0 111.543 172.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 m -69.5 -40.81 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.537 0.608 . . . . 0.0 112.291 -175.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.52 -33.16 74.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.311 0.96 . . . . 0.0 112.17 175.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.43 58.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.658 -0.651 . . . . 0.0 111.715 175.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.36 -32.91 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.019 -1.05 . . . . 0.0 112.394 173.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -65.77 -20.98 66.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.468 1.031 . . . . 0.0 113.711 173.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.73 -23.66 13.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.511 1.524 . . . . 0.0 113.047 179.426 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -90.15 -50.28 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.879 1.272 . . . . 0.0 111.783 175.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -97.59 30.21 3.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.164 1.786 . . . . 0.0 112.028 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.195 0 C-N-CA 124.659 1.123 . . . . 0.0 112.764 -175.468 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.57 159.32 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 111.893 176.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.71 -48.29 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.57 0.748 . . . . 0.0 112.554 -172.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -75.99 -30.03 58.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.6 -12.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 118.908 2.929 . . . . 0.0 118.908 167.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t 56.49 -108.4 0.43 Allowed 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 120.692 1.587 . . . . 0.0 110.76 -161.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.5 m 55.14 18.26 2.3 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 p -90.9 -61.7 1.61 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.044 1.338 . . . . 0.0 111.246 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -118.81 161.86 19.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.01 2.124 . . . . 0.0 109.273 165.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.655 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -59.49 115.55 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -170.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.07 122.77 22.33 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -157.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -69.45 154.32 42.19 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.94 0.896 . . . . 0.0 110.632 169.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.67 -29.9 70.98 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.235 -0.916 . . . . 0.0 112.41 -175.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -56.36 -35.88 68.18 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.44 1.096 . . . . 0.0 113.142 170.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -76.42 -36.17 58.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.844 0.857 . . . . 0.0 111.038 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -69.47 -32.07 70.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.401 1.08 . . . . 0.0 112.618 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.75 -20.38 56.21 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -56.82 -34.88 68.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.847 0.859 . . . . 0.0 112.282 170.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -93.04 -19.86 21.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.587 1.555 . . . . 0.0 112.599 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.9 m -74.64 -34.44 62.75 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.492 0.717 . . . . 0.0 111.8 169.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.3 m120 . . . . . 0 C--O 1.239 0.527 0 C-N-CA 125.903 1.681 . . . . 0.0 110.596 -178.046 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 120.95 0.405 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -133.76 -45.17 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.283 1.833 . . . . 0.0 110.227 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -110.35 172.26 6.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.133 1.773 . . . . 0.0 111.205 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -62.09 131.08 48.36 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.816 0.846 . . . . 0.0 111.431 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -154.44 165.41 36.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.317 3.047 . . . . 0.0 109.353 -13.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.02 154.39 35.77 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.549 1.54 . . . . 0.0 110.856 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 84.7 m 64.13 138.41 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 127.959 2.504 . . . . 0.0 114.508 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.87 -3.85 65.13 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 128.117 2.77 . . . . 0.0 114.944 -6.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.2 t -122.68 -168.05 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.529 1.932 . . . . 0.0 111.023 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 61.43 -28.64 0.06 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.933 2.893 . . . . 0.0 116.855 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.95 -44.52 97.17 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.194 1.361 . . . . 0.0 111.998 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.77 -37.91 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 122.975 0.51 . . . . 0.0 111.858 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -66.76 -38.28 86.28 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.705 0.684 . . . . 0.0 112.103 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.18 -48.88 78.1 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.212 0.605 . . . . 0.0 110.903 170.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.09 -38.22 85.3 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.099 -1.001 . . . . 0.0 113.249 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -57.64 -29.78 64.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.259 0.936 . . . . 0.0 112.773 173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -90.71 -32.49 16.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.255 1.022 . . . . 0.0 113.347 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.6 t -87.21 -36.3 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 124.877 1.271 . . . . 0.0 112.844 -173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 82.8 m -85.45 69.27 10.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -171.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 149.37 170.62 17.13 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.554 1.55 . . . . 0.0 113.352 169.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -17.07 64.59 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -135.0 36.12 3.06 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.63 1.972 . . . . 0.0 110.467 163.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.64 -162.46 50.44 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 124.139 0.876 . . . . 0.0 113.045 -166.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 20.9 t80 52.05 -161.9 0.09 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.057 1.343 . . . . 0.0 112.402 -170.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -141.38 140.04 33.62 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.717 1.207 . . . . 0.0 110.378 166.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.9 m -141.43 119.4 7.78 Favored Pre-proline 0 N--CA 1.471 0.591 0 C-N-CA 123.631 0.772 . . . . 0.0 109.822 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.73 159.52 38.62 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.111 2.541 . . . . 0.0 112.716 -176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -143.16 146.22 33.53 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.797 1.639 . . . . 0.0 111.223 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.293 1.837 . . . . 0.0 112.225 177.251 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.484 0 CA-C-O 121.08 0.267 . . . . 0.0 112.748 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.76 -33.13 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.638 1.575 . . . . 0.0 112.182 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.07 -14.64 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -79.61 -12.16 59.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.945 0.898 . . . . 0.0 112.916 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -108.64 166.59 10.68 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.887 2.075 . . . . 0.0 110.36 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.7 m -91.84 -28.62 17.21 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 130.164 3.385 . . . . 0.0 111.172 -9.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.8 m 52.8 -70.92 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 130.232 3.413 . . . . 0.0 116.811 160.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -75.57 -26.94 58.38 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.929 1.292 . . . . 0.0 111.859 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -118.42 153.66 33.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.088 1.355 . . . . 0.0 113.908 -170.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mm -63.63 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.444 1.498 . . . . 0.0 109.427 167.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 58.4 m -130.71 117.23 19.13 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.525 0.679 . . . . 0.0 112.676 163.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.2 m -94.87 172.86 7.9 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.18 1.792 . . . . 0.0 111.849 172.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.9 -38.74 62.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.532 1.133 . . . . 0.0 113.596 -170.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -60.41 -38.15 83.13 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.36 1.064 . . . . 0.0 113.298 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.59 -37.09 60.11 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.508 1.123 . . . . 0.0 110.918 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.59 -38.31 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.561 1.144 . . . . 0.0 112.359 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.68 -27.07 62.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.399 1.079 . . . . 0.0 112.891 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -71.77 -5.66 35.73 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -94.64 -9.63 34.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.832 1.253 . . . . 0.0 113.355 167.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 66.2 m -113.31 -32.57 6.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.253 1.421 . . . . 0.0 112.961 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.3 p30 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.345 1.458 . . . . 0.0 112.352 179.023 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 p90 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.79 158.96 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 130.603 3.561 . . . . 0.0 113.212 -0.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.5 34.63 17.92 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.914 1.686 . . . . 0.0 115.269 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -133.21 166.43 22.49 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.796 1.238 . . . . 0.0 111.832 168.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -68.09 146.47 53.44 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.868 1.267 . . . . 0.0 111.658 169.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.9 mt -136.28 142.23 43.92 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.163 1.785 . . . . 0.0 108.451 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.1 t -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.926 0.784 . . . . 0.0 111.275 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.3 -131.53 50.7 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.405 0.447 . . . . 0.0 113.524 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.5 m -58.85 -27.81 65.5 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.525 1.13 . . . . 0.0 113.714 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -70.79 -30.59 67.11 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.368 0.986 . . . . 0.0 112.65 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.77 -46.65 65.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.443 0.565 . . . . 0.0 109.804 169.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.21 -44.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 O-C-N 121.579 -0.701 . . . . 0.0 111.629 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.8 -38.15 89.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.596 0.758 . . . . 0.0 112.806 173.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.14 79.96 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.831 0.742 . . . . 0.0 112.561 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.43 -31.04 71.92 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.625 -1.297 . . . . 0.0 112.332 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -72.91 -5.71 40.27 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 171.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.0 -45.68 5.86 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.053 1.341 . . . . 0.0 111.797 166.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.06 -34.64 19.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.833 1.653 . . . . 0.0 112.552 -172.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.2 m -110.36 4.72 20.96 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.649 1.58 . . . . 0.0 113.475 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.5 -130.97 34.81 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.492 1.044 . . . . 0.0 113.523 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -76.08 -9.51 58.68 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -65.91 138.38 57.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.911 1.284 . . . . 0.0 110.495 174.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.8 -167.2 14.77 Favored Glycine 0 CA--C 1.533 1.16 0 N-CA-C 115.56 0.984 . . . . 0.0 115.56 -167.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . 0.632 ' HD1' ' H ' ' B' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -74.42 -1.62 21.88 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -170.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.632 ' H ' ' HD1' ' B' ' 24' ' ' DHI . 30.2 t80 -52.96 -38.87 62.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.144 0.978 . . . . 0.0 112.883 169.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 37.1 p 41.37 64.81 5.02 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 126.773 2.029 . . . . 0.0 115.207 167.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -66.47 153.92 76.23 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.274 2.649 . . . . 0.0 113.015 -174.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -75.74 159.82 30.68 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.915 2.486 . . . . 0.0 113.826 0.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.37 1.868 . . . . 0.0 112.481 -177.28 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.429 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.75 134.97 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.443 1.097 . . . . 0.0 110.147 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.73 1.99 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.362 1.465 . . . . 0.0 113.943 -177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -147.54 151.46 36.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.628 1.571 . . . . 0.0 110.818 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -124.85 158.23 33.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.133 1.373 . . . . 0.0 112.12 -175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.257 30.8 t -80.4 45.11 0.74 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.938 1.695 . . . . 0.0 112.463 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -80.08 157.3 26.73 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.044 1.738 . . . . 0.0 110.384 158.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.2 m 65.31 -50.2 0.36 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.649 2.379 . . . . 0.0 115.789 174.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 p -107.03 153.97 21.82 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.877 1.671 . . . . 0.0 111.64 169.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -102.44 130.68 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.449 1.1 . . . . 0.0 109.793 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -101.09 156.07 17.63 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.7 1.6 . . . . 0.0 113.963 -168.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -84.25 153.06 23.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.154 1.382 . . . . 0.0 111.521 167.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.23 -23.89 66.92 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.428 -0.795 . . . . 0.0 112.019 173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -57.47 -35.18 69.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.615 0.766 . . . . 0.0 112.458 170.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -70.84 -37.69 73.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.407 -0.808 . . . . 0.0 110.739 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.4 mt -65.51 -40.25 92.78 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.139 0.576 . . . . 0.0 111.296 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.91 -35.25 80.55 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.109 -0.995 . . . . 0.0 112.32 172.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -67.61 -30.56 70.18 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.514 -0.741 . . . . 0.0 112.47 173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -71.27 -39.14 71.76 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.106 0.866 . . . . 0.0 111.673 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.67 -32.14 73.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.908 0.883 . . . . 0.0 112.221 172.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 . . . . . 0 C--O 1.238 0.481 0 C-N-CA 125.992 1.717 . . . . 0.0 110.476 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.41 137.52 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.378 1.071 . . . . 0.0 110.389 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.08 52.99 1.63 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.323 1.449 . . . . 0.0 112.085 -176.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -139.81 44.85 1.92 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.556 1.942 . . . . 0.0 111.273 -175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 45.8 m80 65.74 162.15 0.15 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 127.207 2.203 . . . . 0.0 115.303 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -138.74 99.17 3.73 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.338 1.455 . . . . 0.0 109.075 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 t -145.79 152.82 40.15 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.446 -0.784 . . . . 0.0 111.324 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.2 -139.78 47.7 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.788 -0.57 . . . . 0.0 112.12 -171.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -55.92 -32.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.241 1.016 . . . . 0.0 113.669 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -64.66 -32.88 74.75 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.597 0.759 . . . . 0.0 112.795 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -71.43 -38.33 71.37 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.26 0.624 . . . . 0.0 111.569 173.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.5 t -64.78 -45.79 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.345 0.658 . . . . 0.0 110.479 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.59 -38.77 92.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.606 -0.684 . . . . 0.0 112.381 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.26 99.77 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.242 -0.911 . . . . 0.0 111.863 172.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.91 -30.18 67.53 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.271 -0.893 . . . . 0.0 113.282 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -62.26 -39.01 91.49 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.37 0.986 . . . . 0.0 111.393 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mp -73.59 -46.37 47.55 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.366 1.066 . . . . 0.0 112.707 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 66.5 t -72.43 -40.15 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 C-N-CA 124.17 0.988 . . . . 0.0 112.485 -175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.1 t -83.68 -10.51 58.13 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.947 0.899 . . . . 0.0 113.188 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.16 128.84 6.34 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 126.188 1.851 . . . . 0.0 114.306 168.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.21 -23.26 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.198 1.399 . . . . 0.0 113.62 -175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.8 -28.69 69.2 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.833 1.253 . . . . 0.0 113.495 176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.01 -18.68 3.11 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.76 1.172 . . . . 0.0 115.613 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -72.57 146.2 46.88 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.601 -0.687 . . . . 0.0 110.909 168.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -143.33 150.95 39.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.468 1.507 . . . . 0.0 111.434 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 26.0 p -135.54 126.91 17.38 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 124.995 1.318 . . . . 0.0 110.401 170.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.74 -18.12 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.76 2.307 . . . . 0.0 114.133 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -144.74 136.34 25.54 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.548 1.539 . . . . 0.0 111.053 175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.829 1.652 . . . . 0.0 112.575 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.337 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.481 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -77.99 154.71 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.24 1.016 . . . . 0.0 113.071 178.445 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.5 -0.7 9.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -140.1 160.4 40.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.81 1.644 . . . . 0.0 111.999 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -137.06 157.61 46.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.589 1.556 . . . . 0.0 111.211 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' H ' ' CD2' ' B' ' 11' ' ' LEU . 0.1 OUTLIER -77.84 160.32 28.4 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.655 1.182 . . . . 0.0 112.887 -176.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.72 153.85 0.07 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.962 2.505 . . . . 0.0 115.815 -174.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 p -82.65 156.74 23.7 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.608 2.763 . . . . 0.0 111.729 -9.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -83.16 -163.42 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.849 3.26 . . . . 0.0 112.702 -1.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -54.12 129.76 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.369 1.467 . . . . 0.0 111.665 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.3 m -93.46 160.77 14.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.753 1.221 . . . . 0.0 112.728 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.5 t -131.95 172.65 12.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.467 1.907 . . . . 0.0 111.075 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -52.63 -37.87 59.23 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.18 1.392 . . . . 0.0 112.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -61.53 -39.59 91.61 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.482 0.713 . . . . 0.0 112.756 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -69.43 -37.74 77.54 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.432 -0.792 . . . . 0.0 110.889 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.55 -43.38 94.11 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.044 0.538 . . . . 0.0 111.995 174.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.18 -24.96 68.12 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.216 -0.927 . . . . 0.0 113.26 175.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -68.2 -10.51 54.94 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 120.901 -1.124 . . . . 0.0 113.713 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.54 -2.23 57.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.442 1.097 . . . . 0.0 113.662 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.0 p -137.99 96.98 3.3 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 122.87 1.319 . . . . 0.0 112.57 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 125.261 1.424 . . . . 0.0 111.275 176.01 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.998 0.427 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.41 -16.34 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.913 1.285 . . . . 0.0 111.722 162.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -142.22 165.2 28.09 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.932 2.093 . . . . 0.0 110.393 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 64.04 156.1 0.07 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.07 2.148 . . . . 0.0 113.9 -166.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -63.16 136.21 57.61 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.239 1.016 . . . . 0.0 112.199 -172.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tp -123.99 12.57 9.04 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.026 1.33 . . . . 0.0 113.256 -172.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.5 p -102.42 166.92 10.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.587 1.955 . . . . 0.0 112.826 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.88 83.36 0.82 Allowed Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.594 1.092 . . . . 0.0 111.638 -173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 31.5 m 61.48 -25.49 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 128.347 2.659 . . . . 0.0 117.124 -176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -76.01 -20.07 58.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.668 1.122 . . . . 0.0 113.641 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.431 ' CD2' ' H ' ' A' ' 6' ' ' CYS . 59.8 tp -61.87 -42.08 98.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.435 -0.791 . . . . 0.0 112.58 -175.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.24 -35.89 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 118.974 0.806 . . . . 0.0 111.752 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.51 -35.57 79.36 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.316 0.646 . . . . 0.0 112.035 175.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -42.12 79.58 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.486 0.714 . . . . 0.0 112.213 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.83 -30.87 71.56 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.252 -0.905 . . . . 0.0 112.284 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -65.22 -17.81 64.8 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 172.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -92.64 -40.83 10.53 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.558 1.143 . . . . 0.0 112.529 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -85.98 -35.67 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 124.146 0.978 . . . . 0.0 112.978 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 67.3 m -114.14 -4.91 13.07 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.22 1.808 . . . . 0.0 114.172 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.77 170.42 42.67 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.353 0.978 . . . . 0.0 113.465 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -78.78 -12.75 60.04 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -147.25 153.99 40.46 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.789 1.636 . . . . 0.0 111.305 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.73 156.81 27.85 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.063 1.316 . . . . 0.0 113.605 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.43 3.61 12.92 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.234 1.414 . . . . 0.0 114.338 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.8 t80 54.48 103.79 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.594 2.358 . . . . 0.0 113.141 -159.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.5 p -131.88 81.6 62.32 Favored Pre-proline 0 N--CA 1.475 0.813 0 C-N-CA 124.947 1.299 . . . . 0.0 111.472 -172.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -85.27 -8.01 8.84 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.006 3.138 . . . . 0.0 115.079 -173.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.84 131.28 50.5 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.291 1.436 . . . . 0.0 113.503 -168.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.065 1.746 . . . . 0.0 113.78 178.585 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.82 137.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.204 1.002 . . . . 0.0 109.571 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.27 148.31 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 125.496 1.518 . . . . 0.0 110.617 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.88 -6.9 35.85 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -171.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -78.13 44.48 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 127.3 2.24 . . . . 0.0 114.288 -168.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -7.6 45.51 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.74 1.216 . . . . 0.0 113.46 172.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -84.86 59.27 5.47 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.87 1.668 . . . . 0.0 109.829 171.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -27.64 65.62 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 117.08 2.252 . . . . 0.0 117.08 -167.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.6 p -64.18 149.42 47.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 131.417 3.887 . . . . 0.0 114.233 -1.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.6 mt 47.37 94.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 128.037 2.535 . . . . 0.0 114.633 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.4 p -68.48 171.39 7.51 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.76 0.79 . . . . 0.0 111.738 157.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -136.49 165.64 25.36 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.375 1.07 . . . . 0.0 112.061 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -53.37 -36.13 61.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 112.851 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -61.38 -30.62 70.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.698 1.199 . . . . 0.0 113.68 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -77.28 -33.02 55.87 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.16 -0.962 . . . . 0.0 111.287 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.26 -40.77 58.54 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.697 0.799 . . . . 0.0 112.972 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -14.93 62.86 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -173.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.82 -31.25 68.3 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.36 1.464 . . . . 0.0 112.917 168.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -86.26 -5.34 59.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -71.1 -6.32 38.27 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -172.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.763 1.625 . . . . 0.0 113.678 172.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t 54.62 -54.85 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 130.284 3.434 . . . . 0.0 117.45 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -141.37 78.45 1.64 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.066 1.746 . . . . 0.0 111.212 -171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -151.77 -178.05 6.49 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.868 -1.145 . . . . 0.0 113.518 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -71.51 68.74 0.58 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.308 1.843 . . . . 0.0 112.935 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.46 46.94 0.78 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.77 1.628 . . . . 0.0 111.952 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -87.82 151.0 23.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.096 1.358 . . . . 0.0 112.522 -167.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.19 -123.81 33.76 Favored Glycine 0 CA--C 1.534 1.258 0 O-C-N 121.667 -0.646 . . . . 0.0 113.413 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -59.51 -27.29 66.02 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -73.03 -17.57 61.42 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.233 -0.917 . . . . 0.0 113.099 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.02 -48.59 52.19 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.198 0.999 . . . . 0.0 111.037 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.48 -38.84 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 123.02 0.528 . . . . 0.0 111.872 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -61.1 -37.43 82.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.065 0.546 . . . . 0.0 112.269 174.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.29 -47.22 62.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.121 0.568 . . . . 0.0 111.905 172.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -57.15 -39.35 75.07 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.206 0.912 . . . . 0.0 112.646 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -63.84 -16.07 60.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.235 1.014 . . . . 0.0 113.34 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -106.88 -40.83 5.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.122 1.769 . . . . 0.0 112.138 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.11 -36.6 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 C-N-CA 125.625 1.57 . . . . 0.0 111.722 176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 57.7 m -92.09 3.24 55.72 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.582 1.153 . . . . 0.0 113.951 174.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.7 -17.64 2.06 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.879 1.704 . . . . 0.0 116.195 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.74 165.32 32.77 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.874 1.67 . . . . 0.0 112.026 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -10.16 59.47 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.92 164.03 36.94 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.778 1.18 . . . . 0.0 114.069 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -84.44 -7.84 59.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -167.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 t80 55.22 98.72 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.263 2.225 . . . . 0.0 113.232 -165.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 34.7 p -124.62 74.32 62.83 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.304 1.442 . . . . 0.0 111.147 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.72 159.91 51.16 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.663 2.909 . . . . 0.0 112.86 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -143.8 160.68 40.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.753 1.621 . . . . 0.0 112.532 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.252 1.206 0 C-N-CA 125.786 1.634 . . . . 0.0 113.203 178.001 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -138.85 149.37 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 128.932 2.893 . . . . 0.0 110.746 1.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.25 -17.76 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -173.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -149.29 150.65 32.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.344 1.457 . . . . 0.0 111.855 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -142.15 54.43 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.84 1.256 . . . . 0.0 111.742 -173.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.2 m 55.63 19.7 3.46 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.0 m -73.89 -24.29 59.69 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -175.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -123.29 -8.42 8.15 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -168.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 t -143.49 156.34 44.6 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.85 1.26 . . . . 0.0 112.258 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.27 93.35 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.824 1.25 . . . . 0.0 109.723 -175.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.18 113.17 9.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.904 0.482 . . . . 0.0 111.348 171.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.453 ' H ' ' NE2' ' A' ' 15' ' ' GLN . 43.8 p -69.38 164.55 22.69 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.275 1.03 . . . . 0.0 110.802 161.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.2 -31.16 70.93 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.752 -1.218 . . . . 0.0 112.243 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -57.17 -40.68 77.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.829 0.851 . . . . 0.0 112.374 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 12' ' ' SER . 67.5 mt-30 -71.04 -36.96 72.54 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.706 -0.621 . . . . 0.0 111.184 177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.37 -36.25 81.69 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 122.794 0.437 . . . . 0.0 111.74 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.7 -32.59 74.0 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 120.857 -1.152 . . . . 0.0 113.31 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.58 -28.25 69.0 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.522 1.055 . . . . 0.0 113.073 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -70.25 -43.64 70.13 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.248 0.931 . . . . 0.0 111.378 169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -61.88 -39.89 93.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.807 0.843 . . . . 0.0 112.82 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 126.163 1.785 . . . . 0.0 113.672 175.838 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.91 167.28 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 130.162 3.385 . . . . 0.0 111.805 -6.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 55.39 -146.64 0.56 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.587 1.555 . . . . 0.0 112.483 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -139.76 160.66 39.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.584 1.954 . . . . 0.0 110.513 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -103.03 121.91 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 129.027 2.931 . . . . 0.0 112.974 10.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.07 134.44 33.83 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.777 1.231 . . . . 0.0 108.264 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.3 t -147.05 -98.35 0.09 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.54 0.736 . . . . 0.0 112.09 -169.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.46 -11.23 80.0 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.58 1.086 . . . . 0.0 114.918 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.37 163.04 34.02 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.116 1.767 . . . . 0.0 110.59 171.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m80 60.37 -27.92 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.093 2.957 . . . . 0.0 117.181 -177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.6 -48.21 80.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.025 1.284 . . . . 0.0 112.168 -175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.92 -28.94 45.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -75.24 -43.59 50.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.311 0.645 . . . . 0.0 110.998 170.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.59 -37.76 79.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.344 1.057 . . . . 0.0 113.033 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.61 -45.28 94.63 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.353 0.979 . . . . 0.0 111.365 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.97 -33.89 61.94 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.0 mt -66.83 -31.76 72.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.653 0.781 . . . . 0.0 112.537 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 77.0 t -79.38 -45.77 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.561 1.144 . . . . 0.0 111.637 174.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 20.2 t -76.1 -33.73 59.49 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.5 124.69 0.71 Allowed Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.491 1.52 . . . . 0.0 112.349 -171.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 58.79 171.72 0.06 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.867 2.067 . . . . 0.0 114.993 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 tpp85 -83.07 -17.14 44.24 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.486 1.514 . . . . 0.0 113.984 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 123.31 31.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.13 0.871 . . . . 0.0 112.711 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -54.35 144.51 20.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.649 1.579 . . . . 0.0 112.997 170.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -108.63 125.82 52.29 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.92 1.688 . . . . 0.0 111.749 178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 39.9 p -85.8 115.28 61.07 Favored Pre-proline 0 N--CA 1.475 0.782 0 C-N-CA 124.152 0.981 . . . . 0.0 111.389 171.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.54 158.96 43.51 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.757 2.305 . . . . 0.0 112.52 176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -143.74 139.26 29.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.809 1.643 . . . . 0.0 111.197 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.485 1.294 0 C-N-CA 127.884 2.474 . . . . 0.0 113.337 178.786 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 112.032 -0.427 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tp -70.86 144.98 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.226 1.01 . . . . 0.0 111.856 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 m -81.55 -14.4 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -171.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -139.28 158.93 43.3 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.195 1.798 . . . . 0.0 110.484 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.98 146.72 29.05 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.999 0.92 . . . . 0.0 113.029 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.04 11.19 23.81 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.129 1.371 . . . . 0.0 114.246 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.5 -22.66 34.22 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 -171.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 p -85.7 -10.67 55.31 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.397 1.479 . . . . 0.0 114.566 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -142.86 156.68 44.97 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -168.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -84.02 65.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 167.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 m -54.16 145.63 16.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.776 1.23 . . . . 0.0 113.335 -171.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.7 m -77.24 158.0 30.52 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.647 1.179 . . . . 0.0 111.83 172.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -60.0 -32.2 70.64 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -56.57 -31.05 63.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.383 1.073 . . . . 0.0 112.514 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -81.94 -31.34 31.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.687 0.795 . . . . 0.0 111.281 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.76 -30.99 68.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.55 0.74 . . . . 0.0 112.644 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.72 -20.52 49.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -57.09 -29.39 63.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.89 1.276 . . . . 0.0 112.791 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -88.31 -1.9 58.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.492 1.517 . . . . 0.0 113.152 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.2 m -117.47 -32.02 5.05 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.555 1.542 . . . . 0.0 113.025 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 CA--C 1.543 0.703 0 C-N-CA 124.983 1.313 . . . . 0.0 112.145 179.73 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.45 118.08 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.271 1.828 . . . . 0.0 111.238 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -151.37 154.96 37.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 130.045 3.338 . . . . 0.0 109.547 -12.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 61.14 174.3 0.11 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.585 1.554 . . . . 0.0 112.471 -172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -60.85 122.98 16.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 120.389 -1.444 . . . . 0.0 110.349 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 75.6 mt -86.94 85.69 7.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 122.025 0.917 . . . . 0.0 111.811 -159.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.87 158.66 29.83 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.787 2.035 . . . . 0.0 110.896 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.01 -126.45 22.35 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.884 0.754 . . . . 0.0 114.384 168.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 47.4 p -62.25 -33.09 73.95 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -66.16 -40.92 90.91 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.567 1.076 . . . . 0.0 111.537 174.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.67 -39.61 88.24 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.37 0.668 . . . . 0.0 111.84 175.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -64.27 -47.0 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.897 0.879 . . . . 0.0 111.602 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.25 -46.65 85.57 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.74 0.7 . . . . 0.0 111.635 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.19 93.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.06 -30.56 66.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.214 -0.929 . . . . 0.0 113.204 175.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.9 -34.46 77.83 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.015 1.28 . . . . 0.0 112.467 168.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.15 -39.77 68.5 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.121 0.873 . . . . 0.0 113.075 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -85.48 -39.44 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.004 0.922 . . . . 0.0 112.68 -177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.5 m -127.92 -3.41 5.82 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.62 -34.06 10.69 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-N 119.761 1.164 . . . . 0.0 113.454 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -134.62 88.6 2.46 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.738 1.615 . . . . 0.0 110.899 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -144.89 137.12 26.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.537 2.335 . . . . 0.0 111.087 -3.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -168.76 174.31 43.37 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 128.406 2.907 . . . . 0.0 113.624 -1.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -80.77 137.59 36.25 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.054 -1.029 . . . . 0.0 112.218 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -155.07 142.36 19.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.577 1.551 . . . . 0.0 110.954 170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 19.3 p -140.79 131.74 13.68 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 110.491 166.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.01 63.55 8.76 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 124.121 3.214 . . . . 0.0 112.511 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -91.55 158.37 16.48 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.921 1.689 . . . . 0.0 112.15 177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.485 1.293 0 C-N-CA 127.494 2.318 . . . . 0.0 113.275 179.118 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.427 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -72.46 162.02 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.68 0.792 . . . . 0.0 112.655 173.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.94 -15.52 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -86.94 147.97 25.54 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.061 1.344 . . . . 0.0 112.188 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -125.04 -1.8 7.74 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.943 1.697 . . . . 0.0 112.498 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m 54.7 47.41 22.58 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.815 1.646 . . . . 0.0 111.409 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -102.79 -36.59 8.21 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.38 1.472 . . . . 0.0 114.036 -166.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -104.57 -40.86 5.88 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.678 1.191 . . . . 0.0 110.975 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -99.5 154.34 18.31 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.568 1.547 . . . . 0.0 112.27 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -99.31 125.7 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.193 1.397 . . . . 0.0 108.993 -177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.5 m -97.31 121.42 39.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.929 . . . . 0.0 112.459 -170.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.4 m -67.05 156.28 36.47 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.25 1.02 . . . . 0.0 111.176 167.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.34 -26.13 67.61 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.99 -1.069 . . . . 0.0 112.897 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.71 -37.26 58.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.986 1.314 . . . . 0.0 113.185 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.73 -44.25 82.03 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.482 -0.762 . . . . 0.0 110.735 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt -65.91 -37.92 87.33 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.796 0.438 . . . . 0.0 110.983 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.0 -36.62 84.99 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 170.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -67.98 -28.78 67.73 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.308 -0.87 . . . . 0.0 112.565 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -78.07 -34.72 50.13 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.897 0.771 . . . . 0.0 111.511 172.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.08 -39.62 93.47 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.929 1.291 . . . . 0.0 112.43 173.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 t30 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 127.29 2.236 . . . . 0.0 113.68 176.495 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.3 p90 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.39 -20.76 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.106 1.362 . . . . 0.0 113.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -78.34 -16.03 58.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -170.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.86 177.64 8.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.372 1.469 . . . . 0.0 112.546 -169.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -62.83 156.25 24.6 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.672 1.189 . . . . 0.0 112.306 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.24 26.39 8.49 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.548 1.139 . . . . 0.0 112.63 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 34.4 t -105.46 149.57 26.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.347 1.859 . . . . 0.0 113.07 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.31 -0.36 60.02 Favored Glycine 0 CA--C 1.55 2.279 0 N-CA-C 119.297 2.479 . . . . 0.0 119.297 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -143.73 151.27 39.8 Favored 'General case' 0 N--CA 1.475 0.803 2 CA-C-N 126.442 5.121 . . . . 0.0 111.835 -5.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -124.96 -14.21 6.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.089 1.756 . . . . 0.0 113.047 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.7 tp -54.08 -34.48 60.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.511 1.125 . . . . 0.0 114.029 -173.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -69.37 -38.3 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.791 0.836 . . . . 0.0 112.941 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.2 -44.12 72.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.515 0.726 . . . . 0.0 110.615 174.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.19 -38.47 76.76 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.093 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.97 -43.15 79.64 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 123.706 0.802 . . . . 0.0 112.522 176.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -63.01 -39.82 95.89 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.96 1.254 . . . . 0.0 111.902 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.5 -9.41 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -106.52 -40.67 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 126.018 1.727 . . . . 0.0 112.327 174.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.6 t -95.83 -30.26 13.77 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.447 1.499 . . . . 0.0 114.338 -170.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.01 117.36 0.4 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.623 1.106 . . . . 0.0 112.63 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.96 -33.17 73.27 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.909 0.884 . . . . 0.0 112.702 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -89.82 33.27 0.86 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.975 1.71 . . . . 0.0 111.936 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.77 177.86 49.72 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.023 1.296 . . . . 0.0 113.091 -166.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -70.79 131.05 43.24 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.306 -0.871 . . . . 0.0 111.12 167.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -153.99 143.16 21.32 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.021 1.328 . . . . 0.0 110.831 166.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -140.5 130.03 13.29 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 125.223 1.409 . . . . 0.0 109.586 167.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -79.77 140.75 14.84 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.625 2.217 . . . . 0.0 112.197 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -77.13 151.41 35.37 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 128.468 2.707 . . . . 0.0 111.139 -10.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.252 1.227 0 C-N-CA 128.206 2.602 . . . . 0.0 114.597 -176.191 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -144.97 162.03 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.861 1.664 . . . . 0.0 110.15 174.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.54 -22.46 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -165.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 153.7 46.82 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.001 1.321 . . . . 0.0 111.662 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -97.19 137.42 36.26 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.55 0.74 . . . . 0.0 112.944 -173.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t -75.78 164.47 26.21 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.598 1.159 . . . . 0.0 111.143 161.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . 0.292 1.7 p 56.03 148.24 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 130.522 3.529 . . . . 0.0 118.824 168.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 m -66.4 143.84 56.89 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 130.42 3.488 . . . . 0.0 111.642 -6.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.3 p -103.58 -149.69 0.41 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 131.11 3.764 . . . . 0.0 112.463 2.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.67 118.48 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.079 1.352 . . . . 0.0 109.306 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -78.83 -46.1 19.41 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -169.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t 59.64 167.82 0.07 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.63 -40.2 62.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.088 1.755 . . . . 0.0 112.717 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.21 -36.14 63.15 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.726 1.211 . . . . 0.0 113.107 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -87.88 -32.1 19.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.904 0.481 . . . . 0.0 111.935 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.53 -28.15 69.11 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.68 -24.95 59.37 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 173.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -69.57 -22.85 63.5 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.892 -1.13 . . . . 0.0 113.571 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -75.53 -19.33 59.41 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.472 1.109 . . . . 0.0 112.712 174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 m -84.2 -3.07 57.92 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -171.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 125.643 1.577 . . . . 0.0 112.962 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.8 m -61.74 151.07 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.103 1.361 . . . . 0.0 111.769 164.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.09 59.08 4.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.222 1.009 . . . . 0.0 112.492 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -134.64 171.3 14.54 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.539 1.536 . . . . 0.0 110.992 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -65.05 -17.35 64.37 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 116.156 1.91 . . . . 0.0 116.156 -161.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt 56.24 43.51 26.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.782 1.633 . . . . 0.0 111.248 -165.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 t -121.7 164.83 16.73 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.716 1.606 . . . . 0.0 112.298 -169.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.72 -132.0 51.07 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 121.578 -0.701 . . . . 0.0 112.143 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -59.26 -26.58 65.04 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -81.74 -15.67 53.57 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.06 -52.38 65.63 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.849 0.859 . . . . 0.0 111.507 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -67.91 -33.83 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.3 -41.56 89.55 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.334 0.654 . . . . 0.0 111.928 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.86 79.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.17 0.588 . . . . 0.0 112.325 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -67.83 -30.44 69.84 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.746 -1.221 . . . . 0.0 113.556 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.04 -11.87 44.09 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 168.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.49 -42.35 6.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.633 1.173 . . . . 0.0 112.397 170.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -77.43 -44.63 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.86 0.864 . . . . 0.0 112.281 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 59.4 m -96.73 -33.36 11.74 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.799 0.84 . . . . 0.0 112.814 176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.5 11.97 23.0 Favored Glycine 0 CA--C 1.54 1.642 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 -174.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -130.43 76.24 1.71 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-N 119.171 1.485 . . . . 0.0 112.115 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -94.16 -53.85 3.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 128.13 2.572 . . . . 0.0 111.699 -6.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 38.9 -112.04 0.21 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 126.647 2.07 . . . . 0.0 115.722 167.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -139.32 152.1 46.93 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 128.687 2.795 . . . . 0.0 110.263 -6.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -142.05 139.71 32.39 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.155 1.382 . . . . 0.0 111.475 -175.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -104.92 112.41 65.26 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 125.002 1.321 . . . . 0.0 110.961 175.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -66.1 138.24 51.25 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.207 1.938 . . . . 0.0 112.033 170.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -118.38 157.54 26.97 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 126.177 1.791 . . . . 0.0 111.17 172.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.253 1.255 0 C-N-CA 125.786 1.634 . . . . 0.0 113.261 176.748 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.5 tp -62.93 145.73 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.104 0.962 . . . . 0.0 112.561 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.9 -36.21 68.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.397 1.079 . . . . 0.0 113.443 -162.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -134.11 164.58 27.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.901 1.68 . . . . 0.0 110.903 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -144.04 149.14 36.2 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.4 m -76.27 66.82 2.43 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.481 1.912 . . . . 0.0 111.507 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.4 t -98.12 -40.07 8.59 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.357 1.063 . . . . 0.0 113.459 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -101.58 -28.27 12.62 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.164 1.386 . . . . 0.0 112.145 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 p -95.45 151.66 19.09 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.328 1.851 . . . . 0.0 112.765 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.25 133.64 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.359 1.464 . . . . 0.0 108.87 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.93 109.88 14.12 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.759 0.824 . . . . 0.0 112.605 -167.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.5 m -65.27 163.35 15.54 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.101 0.96 . . . . 0.0 110.887 163.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.54 -33.54 70.01 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 112.831 -177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.91 -36.22 69.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.192 0.997 . . . . 0.0 113.181 171.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -78.22 -39.87 39.14 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.841 0.856 . . . . 0.0 111.125 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.02 -32.55 73.06 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.865 0.866 . . . . 0.0 112.629 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.87 -17.28 49.44 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.35 -32.38 73.16 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.819 -1.176 . . . . 0.0 112.257 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -77.22 -3.79 41.44 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.437 1.095 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 m -78.63 -14.67 59.2 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.223 -0.923 . . . . 0.0 112.246 168.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 126.777 2.031 . . . . 0.0 113.628 -178.264 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.71 -26.71 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.375 1.47 . . . . 0.0 114.298 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -114.95 15.24 17.3 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.167 1.387 . . . . 0.0 113.56 -172.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -142.99 169.26 17.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.016 1.327 . . . . 0.0 112.694 -176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -66.69 150.26 49.33 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.223 1.009 . . . . 0.0 111.246 170.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.06 8.1 11.51 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -173.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.2 t -48.39 134.93 14.53 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.988 1.315 . . . . 0.0 114.549 -168.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.46 -137.3 21.59 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 123.832 0.73 . . . . 0.0 113.13 -173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -60.52 -33.06 72.09 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -62.01 -30.13 70.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 tp -69.99 -48.58 57.64 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.814 0.846 . . . . 0.0 111.78 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 m -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 119.176 0.898 . . . . 0.0 111.282 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.6 -38.24 86.87 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.597 0.635 . . . . 0.0 112.675 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.91 75.73 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 118.526 0.603 . . . . 0.0 111.783 171.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.78 -28.36 65.68 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.919 -1.113 . . . . 0.0 113.559 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -64.31 -11.14 29.12 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 167.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -106.73 -42.08 5.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.432 1.493 . . . . 0.0 112.291 172.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.89 -39.4 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.974 1.31 . . . . 0.0 112.199 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 68.3 m -98.43 -12.18 21.63 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.637 1.175 . . . . 0.0 113.344 170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.35 -151.49 41.88 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.305 0.955 . . . . 0.0 113.38 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.82 164.16 12.87 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.882 0.873 . . . . 0.0 113.228 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -61.22 130.32 45.66 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.818 0.847 . . . . 0.0 111.006 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.89 -57.61 0.36 Allowed Glycine 0 CA--C 1.538 1.514 0 N-CA-C 115.164 0.825 . . . . 0.0 115.164 -171.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.26 136.27 55.62 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 144.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -73.61 -44.79 56.21 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -168.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 63.8 p 42.35 67.32 3.48 Favored Pre-proline 0 N--CA 1.483 1.215 0 C-N-CA 127.059 2.144 . . . . 0.0 115.606 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.72 157.11 52.62 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.41 2.74 . . . . 0.0 112.836 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -134.15 157.3 46.56 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.336 1.855 . . . . 0.0 111.56 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.139 1.376 . . . . 0.0 112.56 176.632 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.8 mt -82.35 148.7 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.513 1.125 . . . . 0.0 109.937 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 t 67.29 -25.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 127.469 2.308 . . . . 0.0 114.499 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -59.62 137.78 57.93 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.531 -1.356 . . . . 0.0 110.748 166.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 59.53 -52.95 0.07 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.069 2.147 . . . . 0.0 114.269 -162.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -78.88 59.49 2.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.188 1.395 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -167.5 -40.54 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.761 2.424 . . . . 0.0 110.349 162.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 p -72.43 -28.69 63.12 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.451 1.1 . . . . 0.0 112.661 170.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -128.08 163.23 25.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.83 2.052 . . . . 0.0 111.75 175.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.15 135.62 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.737 1.215 . . . . 0.0 108.918 174.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.3 m -110.02 149.24 30.27 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.8 p -82.75 22.44 0.9 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -167.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tm? 62.92 -42.37 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 115.155 -171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -52.6 -34.85 52.69 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.479 1.512 . . . . 0.0 112.665 168.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -69.9 -27.84 65.12 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.429 -0.794 . . . . 0.0 112.711 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.84 -44.3 64.08 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 169.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -56.2 -35.9 67.81 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.411 -0.806 . . . . 0.0 112.743 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -60.19 -21.1 61.32 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.61 -16.24 62.28 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.7 m -120.81 -19.76 7.21 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.603 1.561 . . . . 0.0 114.692 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 125.156 1.382 . . . . 0.0 112.087 -163.447 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 CA--C 1.541 0.63 0 CA-C-O 120.637 0.256 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -129.71 -21.95 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.472 1.509 . . . . 0.0 113.778 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -133.83 13.43 4.01 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.643 1.577 . . . . 0.0 112.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -151.11 157.88 43.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.429 1.891 . . . . 0.0 110.401 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -63.18 153.95 32.81 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.884 1.274 . . . . 0.0 113.556 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -124.51 144.34 50.16 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.946 1.698 . . . . 0.0 108.604 167.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 94.5 m -144.79 142.65 30.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.461 1.028 . . . . 0.0 111.023 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.91 -120.67 9.44 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.541 1.067 . . . . 0.0 113.809 171.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -51.82 -40.82 61.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.229 1.412 . . . . 0.0 113.333 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -67.73 -32.9 73.84 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.454 -0.779 . . . . 0.0 112.661 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tt -72.56 -41.52 65.66 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.839 -0.538 . . . . 0.0 111.9 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.04 -33.97 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 121.047 -1.033 . . . . 0.0 111.97 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.87 -30.7 71.76 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.44 -0.788 . . . . 0.0 112.506 168.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -38.08 75.88 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.392 -0.818 . . . . 0.0 112.209 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.9 mt -65.27 -31.4 72.53 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.905 -1.122 . . . . 0.0 112.893 174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -60.35 -14.95 21.32 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 168.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -106.23 -45.33 4.33 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.311 1.444 . . . . 0.0 112.622 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.08 -44.57 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 112.127 -173.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.46 -23.49 13.91 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.044 1.338 . . . . 0.0 112.847 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.28 -19.81 19.01 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.925 1.726 . . . . 0.0 117.063 -171.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.05 -16.5 44.4 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.745 1.273 . . . . 0.0 113.721 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -78.88 9.76 3.97 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.417 1.487 . . . . 0.0 113.964 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.27 29.85 32.4 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.601 1.096 . . . . 0.0 113.181 -173.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . 0.61 ' HD1' ' NZ ' ' B' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -60.87 151.86 28.92 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.734 -0.604 . . . . 0.0 110.034 160.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.84 132.29 49.42 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.206 1.002 . . . . 0.0 111.517 -172.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 14.8 t -50.69 139.39 21.36 Favored Pre-proline 0 N--CA 1.482 1.128 1 C-N-CA 131.847 4.059 . . . . 0.0 114.684 1.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.88 156.48 43.54 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.214 2.609 . . . . 0.0 114.028 -162.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.61 ' NZ ' ' HD1' ' B' ' 24' ' ' DHI . 5.3 ptpp? -68.58 155.9 39.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.422 1.089 . . . . 0.0 112.74 172.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.805 1.642 . . . . 0.0 113.262 177.74 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.5 tt -119.9 -27.96 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 128.592 2.757 . . . . 0.0 113.359 4.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -6.76 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 120.568 -1.333 . . . . 0.0 112.15 176.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.08 -13.96 61.72 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.693 1.597 . . . . 0.0 113.805 169.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -80.35 -177.75 6.3 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.676 1.19 . . . . 0.0 113.034 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.9 m 64.5 23.94 13.01 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.86 1.664 . . . . 0.0 114.832 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 m -103.45 144.71 31.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.882 2.073 . . . . 0.0 109.546 167.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m 64.22 -35.65 0.17 Allowed 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 127.196 2.198 . . . . 0.0 115.468 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -119.62 152.73 36.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.576 1.95 . . . . 0.0 111.12 170.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.22 128.36 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.585 1.154 . . . . 0.0 109.742 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.1 m -77.67 150.36 34.54 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.266 1.026 . . . . 0.0 113.054 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.7 p -89.1 168.93 11.93 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.828 1.251 . . . . 0.0 112.661 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.0 tp -55.08 -41.35 71.43 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.997 0.919 . . . . 0.0 112.055 170.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -62.13 -36.6 82.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.299 1.04 . . . . 0.0 112.485 176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.36 -41.61 84.83 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.531 -0.731 . . . . 0.0 111.121 173.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.19 -32.47 73.93 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.797 0.665 . . . . 0.0 112.797 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -64.21 -19.38 65.3 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.77 -16.72 60.08 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.896 -1.128 . . . . 0.0 113.453 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -79.79 -15.31 57.7 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.517 1.127 . . . . 0.0 113.507 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.83 8.03 7.59 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 116.774 2.138 . . . . 0.0 116.774 -155.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.465 1.506 . . . . 0.0 112.472 168.711 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.3 p -66.74 136.94 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.341 -0.849 . . . . 0.0 113.192 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -69.31 163.95 23.93 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.798 2.039 . . . . 0.0 112.181 177.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.74 -179.63 1.86 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.645 3.578 . . . . 0.0 113.462 -0.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -45.84 131.5 9.37 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.551 1.54 . . . . 0.0 112.078 174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.46 -14.01 57.54 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -165.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 t -22.74 -45.73 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 130.904 3.681 . . . . 0.0 118.557 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.43 -140.72 3.07 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.991 1.281 . . . . 0.0 114.115 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -66.29 -19.89 65.95 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.362 -1.081 . . . . 0.0 113.648 177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -55.13 -36.38 65.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.533 1.533 . . . . 0.0 111.882 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 52.5 tp -63.16 -56.3 17.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.123 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.81 -31.9 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 119.034 0.833 . . . . 0.0 112.308 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -63.65 -42.8 98.06 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.21 0.604 . . . . 0.0 111.916 168.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.76 76.0 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.733 0.813 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.0 mt -57.94 -43.06 86.09 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.703 1.138 . . . . 0.0 111.513 175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.59 -19.23 65.83 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 175.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.98 -14.24 45.19 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.497 1.119 . . . . 0.0 112.993 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 80.7 t -107.75 -34.06 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.732 1.613 . . . . 0.0 112.364 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 97.7 m -140.74 147.28 38.92 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.701 1.6 . . . . 0.0 112.427 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.16 171.44 42.31 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.282 2.372 . . . . 0.0 111.459 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.471 ' HA ' ' HD1' ' B' ' 24' ' ' DHI . 12.3 pt-20 -137.54 27.9 2.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 129.063 2.945 . . . . 0.0 112.194 1.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -80.28 63.63 4.82 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.129 1.772 . . . . 0.0 112.98 -170.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.73 -15.71 50.38 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.839 1.685 . . . . 0.0 115.671 175.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . 0.471 ' HD1' ' HA ' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.61 142.45 34.29 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.367 1.467 . . . . 0.0 112.434 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -146.17 119.76 9.14 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.486 1.114 . . . . 0.0 110.369 164.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.4 p -122.74 85.4 49.49 Favored Pre-proline 0 N--CA 1.472 0.671 0 C-N-CA 124.889 1.275 . . . . 0.0 110.745 -173.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.88 116.63 4.76 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.382 2.721 . . . . 0.0 112.544 -172.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -133.91 137.06 44.68 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 129.436 3.094 . . . . 0.0 109.598 -12.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.182 1.393 . . . . 0.0 110.998 174.76 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.593 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -142.17 155.11 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.289 1.436 . . . . 0.0 111.065 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.98 -22.92 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -165.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.75 156.97 46.93 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.413 1.485 . . . . 0.0 111.256 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -125.66 148.64 48.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.942 1.297 . . . . 0.0 112.606 -176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.0 m -86.65 42.2 1.0 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.351 1.46 . . . . 0.0 113.469 -170.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.34 147.12 23.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.087 1.755 . . . . 0.0 111.836 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.1 p 60.45 -47.08 0.1 Allowed 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 129.097 2.959 . . . . 0.0 116.202 -178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 p -96.74 151.89 19.2 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.534 1.534 . . . . 0.0 111.858 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.6 mt -96.64 133.59 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 -171.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.42 118.6 31.52 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.166 0.987 . . . . 0.0 111.689 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.4 m -79.24 165.5 23.17 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.258 1.023 . . . . 0.0 110.761 163.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.35 -31.31 67.47 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.222 -0.924 . . . . 0.0 112.812 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -55.33 -35.28 64.99 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.666 1.186 . . . . 0.0 113.46 170.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -74.45 -33.41 62.91 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.202 -0.936 . . . . 0.0 111.41 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.03 -38.1 75.77 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.292 0.637 . . . . 0.0 111.042 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -64.07 -30.59 71.65 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.092 -1.005 . . . . 0.0 112.633 169.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -66.96 -29.56 69.45 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 121.114 -0.992 . . . . 0.0 112.622 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -77.58 -29.46 52.09 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.171 0.896 . . . . 0.0 112.424 168.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.8 t -69.95 -34.68 73.73 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.414 1.085 . . . . 0.0 113.077 175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 125.028 1.331 . . . . 0.0 112.128 178.732 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t 64.06 -47.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 128.632 2.773 . . . . 0.0 116.124 168.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -120.64 -0.79 10.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.729 2.012 . . . . 0.0 113.331 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -138.25 139.77 39.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.608 1.563 . . . . 0.0 111.224 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -64.36 154.34 35.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.043 1.337 . . . . 0.0 112.802 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -129.29 24.8 5.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.273 1.429 . . . . 0.0 112.848 -175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 6.2 t -69.85 149.75 47.55 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.702 -1.249 . . . . 0.0 114.209 -172.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.61 -138.64 21.93 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 124.824 1.202 . . . . 0.0 112.375 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.2 m -60.06 -25.8 65.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.397 1.079 . . . . 0.0 113.193 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -59.14 -21.65 59.66 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.004 0.922 . . . . 0.0 113.143 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.25 -44.9 43.45 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.345 0.975 . . . . 0.0 112.203 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.51 -37.42 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 118.898 0.772 . . . . 0.0 111.155 172.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.22 -29.58 70.89 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 174.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 -42.16 37.06 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.794 0.838 . . . . 0.0 112.273 170.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.72 -24.75 67.05 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.338 -0.851 . . . . 0.0 112.806 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -53.26 -33.57 53.66 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.594 1.088 . . . . 0.0 112.727 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 40.3 mt -88.67 -21.23 24.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.211 1.404 . . . . 0.0 113.096 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.34 -31.03 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.205 1.402 . . . . 0.0 112.861 -168.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -141.74 -32.26 0.53 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -173.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 57.43 -132.19 52.43 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.246 0.927 . . . . 0.0 112.416 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.69 20.73 14.44 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.535 1.534 . . . . 0.0 112.945 172.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -133.25 -16.51 2.43 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -173.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.84 -18.45 75.13 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.805 1.184 . . . . 0.0 115.319 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -92.34 151.43 20.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.895 1.278 . . . . 0.0 109.603 155.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -112.85 141.72 46.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.762 0.825 . . . . 0.0 111.306 168.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -137.46 137.24 21.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 124.107 0.963 . . . . 0.0 110.393 166.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.98 -5.25 14.46 Favored 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 123.195 2.597 . . . . 0.0 112.614 170.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? 64.99 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 129.34 3.056 . . . . 0.0 114.667 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.484 1.246 0 C-N-CA 126.761 2.024 . . . . 0.0 113.986 -176.575 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' H ' ' A' ' 4' ' ' GLU . 10.6 tp -138.4 144.43 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.685 1.194 . . . . 0.0 111.155 175.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.0 m -95.49 0.27 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.305 1.442 . . . . 0.0 114.299 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' H ' HG13 ' A' ' 2' ' ' ILE . 45.6 mt-10 -132.28 156.78 45.92 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.608 1.963 . . . . 0.0 110.738 176.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -134.48 166.22 23.36 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.867 1.267 . . . . 0.0 111.57 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.6 t -51.25 -52.64 42.87 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -166.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.11 -36.74 3.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.642 3.577 . . . . 0.0 112.128 -7.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.0 p -81.69 -12.89 58.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.193 1.397 . . . . 0.0 114.064 -175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.1 p -107.42 -178.46 3.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.93 1.692 . . . . 0.0 111.425 169.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -91.19 -17.26 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.998 0.919 . . . . 0.0 112.024 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.5 m 61.25 146.74 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 128.398 2.679 . . . . 0.0 116.477 -176.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -81.5 155.71 25.65 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.738 1.215 . . . . 0.0 110.629 164.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.68 -31.74 69.84 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.662 0.785 . . . . 0.0 112.923 -174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -55.14 -37.17 66.61 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.32 1.048 . . . . 0.0 113.128 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -66.61 -33.76 76.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.535 -0.728 . . . . 0.0 111.395 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -74.61 -37.36 62.86 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.426 1.09 . . . . 0.0 110.8 175.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.35 -28.03 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.98 -1.075 . . . . 0.0 113.053 172.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -63.9 -29.15 70.35 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.771 1.169 . . . . 0.0 112.589 170.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.79 -31.06 35.88 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.967 0.907 . . . . 0.0 112.333 174.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.4 t -69.03 -35.79 77.02 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.557 1.143 . . . . 0.0 112.606 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 124.71 1.204 . . . . 0.0 112.407 179.516 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 1.4 p 55.34 -19.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 130.514 3.525 . . . . 0.0 118.758 171.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.98 -10.19 4.33 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.816 1.646 . . . . 0.0 114.347 -174.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -140.66 136.97 33.21 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.56 1.544 . . . . 0.0 109.522 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -64.02 142.24 58.48 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.226 1.41 . . . . 0.0 111.724 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.85 -18.53 34.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 10.7 t -73.13 -20.24 60.97 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -163.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -65.21 3.16 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.258 0.932 . . . . 0.0 113.613 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -151.02 13.71 0.7 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.787 1.235 . . . . 0.0 113.036 177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -113.65 -22.6 10.17 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -156.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.2 -36.63 68.62 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.412 1.485 . . . . 0.0 112.946 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 m -68.01 -38.03 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.255 0.622 . . . . 0.0 112.4 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.6 -39.6 64.47 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.46 -0.775 . . . . 0.0 111.103 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.62 94.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.128 0.571 . . . . 0.0 111.591 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.0 mt -69.61 -33.83 73.22 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.291 -0.861 . . . . 0.0 113.197 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -61.36 -39.11 89.41 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.133 1.333 . . . . 0.0 112.448 168.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -75.92 -30.91 58.9 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 79.6 t -88.23 -38.84 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.918 1.287 . . . . 0.0 112.383 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.6 t -85.79 -27.26 25.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.134 0.973 . . . . 0.0 113.247 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 148.08 42.35 Favored Glycine 0 CA--C 1.542 1.721 0 O-C-N 121.201 -0.937 . . . . 0.0 112.352 169.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -89.57 0.38 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.28 2.632 . . . . 0.0 113.603 1.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -67.5 -31.7 72.0 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.662 1.185 . . . . 0.0 113.374 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.76 162.46 33.64 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.292 1.425 . . . . 0.0 114.286 177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -136.07 147.09 47.7 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.144 1.378 . . . . 0.0 111.389 171.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -154.4 141.37 19.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.993 1.317 . . . . 0.0 111.81 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.9 p -133.02 138.06 30.96 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 123.737 0.815 . . . . 0.0 110.895 156.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -73.2 156.57 51.14 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.875 2.384 . . . . 0.0 112.724 -177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 10.0 34.15 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 128.954 2.902 . . . . 0.0 115.243 3.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.485 1.303 0 C-N-CA 127.709 2.404 . . . . 0.0 113.236 -167.668 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.9 mt -102.85 156.01 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 128.756 2.823 . . . . 0.0 109.908 1.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.339 17.1 m 55.58 16.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 127.835 2.454 . . . . 0.0 115.876 -172.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.08 128.63 36.3 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.328 163.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -70.43 141.4 52.11 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.551 0.74 . . . . 0.0 112.961 -164.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -80.83 54.78 2.23 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.088 1.355 . . . . 0.0 111.042 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 71.3 m -87.38 -33.49 19.12 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.779 1.232 . . . . 0.0 113.61 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -86.99 -41.04 14.2 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.942 0.897 . . . . 0.0 111.707 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -123.24 150.87 42.91 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.947 1.299 . . . . 0.0 112.199 -173.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.29 137.37 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.633 1.173 . . . . 0.0 110.053 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -114.74 93.44 4.32 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 122.173 0.987 . . . . 0.0 109.794 168.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.2 p -78.95 37.22 0.3 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.9 2.48 . . . . 0.0 114.569 -171.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt 64.13 -50.56 0.28 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 128.218 2.607 . . . . 0.0 113.534 -170.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -50.72 -36.23 35.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.448 1.899 . . . . 0.0 113.438 172.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -65.57 -26.76 68.01 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.97 0.908 . . . . 0.0 113.012 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.1 mt -77.82 -27.15 49.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.492 1.117 . . . . 0.0 113.126 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.3 -23.13 55.5 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.54 1.136 . . . . 0.0 113.472 178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -57.84 -25.84 61.23 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.668 1.187 . . . . 0.0 112.994 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.426 ' CE1' ' HA3' ' A' ' 1' ' ' GLY . 25.2 m-85 -99.5 12.72 35.66 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 114.299 -175.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.76 1.73 29.13 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.465 1.106 . . . . 0.0 113.981 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 111.061 179.248 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 t 48.44 32.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 126.944 2.098 . . . . 0.0 113.888 171.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 49.21 47.65 21.87 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.102 1.761 . . . . 0.0 113.459 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -103.85 161.23 14.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.996 1.319 . . . . 0.0 113.908 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -77.54 95.87 4.63 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.584 1.154 . . . . 0.0 109.504 159.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.17 85.37 2.39 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.894 0.854 . . . . 0.0 110.363 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 t -132.72 131.54 41.35 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.518 1.527 . . . . 0.0 111.227 -164.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.25 -27.94 0.56 Allowed Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.708 1.623 . . . . 0.0 115.445 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -152.68 -179.49 7.66 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.069 2.148 . . . . 0.0 110.787 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.9 t60 64.56 -32.63 0.14 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 128.534 2.734 . . . . 0.0 116.745 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -43.98 81.9 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.472 1.487 . . . . 0.0 113.738 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.03 -36.0 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.754 -0.591 . . . . 0.0 112.113 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.92 -42.2 85.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.694 0.798 . . . . 0.0 111.214 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.62 -42.39 98.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.099 0.56 . . . . 0.0 111.742 172.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.59 -33.58 74.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.026 -1.046 . . . . 0.0 113.516 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.46 -33.26 75.18 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.796 1.18 . . . . 0.0 112.649 169.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -81.87 -35.02 29.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.428 1.091 . . . . 0.0 113.283 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.89 -36.57 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.075 1.35 . . . . 0.0 112.09 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.3 m -124.34 50.65 1.66 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 125.768 1.627 . . . . 0.0 112.836 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.28 -158.12 27.52 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 118.071 -2.893 . . . . 0.0 112.28 9.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.12 -17.49 53.05 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.868 1.267 . . . . 0.0 113.768 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -136.17 28.81 3.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.331 1.452 . . . . 0.0 113.39 170.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.64 -161.62 52.6 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.689 1.138 . . . . 0.0 114.33 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.89 157.29 38.4 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 113.664 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -56.85 -38.43 72.68 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.793 2.037 . . . . 0.0 113.847 172.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.3 m 58.0 78.51 0.36 Allowed Pre-proline 0 N--CA 1.483 1.179 0 C-N-CA 125.75 1.62 . . . . 0.0 112.064 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -66.06 150.69 85.12 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.455 2.77 . . . . 0.0 112.538 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -128.99 22.51 5.74 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.469 1.507 . . . . 0.0 113.439 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.485 1.312 0 C-N-CA 127.768 2.427 . . . . 0.0 112.916 -175.391 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -74.97 -25.39 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -70.29 117.07 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.021 0.928 . . . . 0.0 111.527 -171.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -154.76 152.79 30.29 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.353 1.861 . . . . 0.0 110.507 176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 61.94 -17.24 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 127.521 2.329 . . . . 0.0 116.595 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.35 140.67 23.2 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.865 1.666 . . . . 0.0 110.277 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.9 p -80.91 8.96 7.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.14 2.576 . . . . 0.0 114.635 -0.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.7 p -57.84 -29.38 64.91 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.67 1.588 . . . . 0.0 113.899 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -128.63 166.69 18.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.965 1.706 . . . . 0.0 110.675 166.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -80.51 78.92 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.256 1.022 . . . . 0.0 108.532 176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -68.75 153.55 43.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -168.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.5 p -92.77 166.89 12.22 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.342 1.457 . . . . 0.0 112.453 174.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.4 mt -58.56 -33.25 69.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.72 0.808 . . . . 0.0 112.378 176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -62.46 -37.37 85.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.823 1.249 . . . . 0.0 112.572 174.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -71.81 -38.61 70.18 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.592 -0.692 . . . . 0.0 111.448 176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.08 -26.89 67.96 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -60.23 -23.3 63.94 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.6 1.091 . . . . 0.0 113.895 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -64.93 -22.18 66.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.297 -0.877 . . . . 0.0 113.192 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -81.73 -18.46 44.23 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.303 1.041 . . . . 0.0 113.064 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.8 m -81.11 -19.36 43.77 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -167.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 124.111 0.964 . . . . 0.0 111.824 -179.536 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.58 151.0 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 125.432 1.493 . . . . 0.0 110.794 -176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -83.25 42.33 0.81 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.848 1.259 . . . . 0.0 113.319 -172.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.82 164.86 32.33 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.22 1.408 . . . . 0.0 112.225 177.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -55.26 129.45 38.43 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.344 1.058 . . . . 0.0 110.507 169.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -79.76 13.89 1.95 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -152.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.06 166.7 22.95 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 120.934 -1.104 . . . . 0.0 112.006 171.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.25 40.16 8.07 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.665 -0.647 . . . . 0.0 112.532 -165.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.5 m 64.32 -1.98 0.67 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.701 2.4 . . . . 0.0 117.087 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.47 -35.99 79.18 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.181 1.355 . . . . 0.0 112.393 175.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.43 -37.18 86.61 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.432 1.093 . . . . 0.0 112.052 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 40.2 t -69.46 -47.96 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.455 0.702 . . . . 0.0 110.258 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -61.94 -37.22 83.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.543 0.737 . . . . 0.0 112.282 176.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -51.81 59.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.991 0.916 . . . . 0.0 111.658 174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.14 -35.06 79.03 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.227 -0.921 . . . . 0.0 112.813 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -62.58 -20.51 64.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 173.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -103.29 -35.14 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.084 1.353 . . . . 0.0 113.068 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.7 -40.65 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.077 1.351 . . . . 0.0 111.8 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.5 m -88.51 -44.75 10.46 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.161 0.584 . . . . 0.0 112.2 175.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.56 -114.87 4.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.565 0.603 . . . . 0.0 112.625 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -100.37 -10.94 20.69 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.341 1.457 . . . . 0.0 113.956 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 150.76 21.96 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.744 -1.223 . . . . 0.0 114.144 -173.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.38 -9.88 7.04 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.668 1.604 . . . . 0.0 116.915 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 50.94 -142.32 0.71 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.057 1.743 . . . . 0.0 113.518 171.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -144.01 149.71 37.13 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.27 1.828 . . . . 0.0 111.659 -174.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 21.3 p -137.8 125.51 13.99 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 0.0 110.506 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.77 156.97 52.65 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.09 2.527 . . . . 0.0 112.46 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -133.65 155.24 50.05 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.923 1.689 . . . . 0.0 111.729 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.254 1.324 0 C-N-CA 125.817 1.647 . . . . 0.0 113.707 177.066 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 pp -77.55 170.26 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.3 1.04 . . . . 0.0 113.119 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.08 151.65 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.763 1.625 . . . . 0.0 111.304 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -80.41 44.91 0.73 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.027 1.331 . . . . 0.0 112.246 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -129.6 -81.18 0.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -164.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m 49.4 54.78 10.39 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 119.171 0.896 . . . . 0.0 113.008 -157.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -121.2 -11.78 8.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.908 1.283 . . . . 0.0 114.43 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -70.18 -33.65 72.0 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.265 -0.897 . . . . 0.0 111.033 166.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -153.31 164.4 38.18 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.863 2.065 . . . . 0.0 110.919 174.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mt -81.19 103.27 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -81.37 149.42 28.88 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -172.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -76.46 154.08 35.02 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.751 1.22 . . . . 0.0 111.987 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.69 -27.03 68.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.431 -0.793 . . . . 0.0 112.175 173.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.85 -36.13 82.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.438 -0.789 . . . . 0.0 112.39 170.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.27 -35.88 74.05 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.311 -0.868 . . . . 0.0 110.386 175.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 34.3 mt -64.83 -39.45 93.59 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.09 -20.51 62.69 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.755 -1.216 . . . . 0.0 113.557 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.23 -6.24 58.64 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -73.3 -39.97 64.9 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.857 1.208 . . . . 0.0 111.281 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.0 p -87.66 78.99 8.37 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 123.67 1.7 . . . . 0.0 111.958 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.222 -1.808 . . . . 0.0 111.92 -178.596 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 15.0 p -143.79 139.29 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.285 1.434 . . . . 0.0 110.873 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 53.97 26.83 6.69 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.795 1.638 . . . . 0.0 114.638 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -145.24 156.94 44.14 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.106 1.362 . . . . 0.0 112.662 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -69.15 152.92 44.53 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.431 1.092 . . . . 0.0 110.823 164.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -120.14 -5.56 9.97 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 -162.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 p -61.63 140.11 58.2 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.377 1.444 . . . . 0.0 113.022 -169.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.37 -145.06 18.81 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 123.746 0.688 . . . . 0.0 111.843 -160.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -63.42 -31.36 72.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -169.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -64.14 -35.7 81.64 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.153 0.888 . . . . 0.0 113.106 -174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.84 -39.88 79.71 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.422 1.089 . . . . 0.0 110.89 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 49.5 t -67.95 -45.11 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.65 0.78 . . . . 0.0 110.701 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.74 -40.72 96.09 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.609 -0.682 . . . . 0.0 112.079 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.43 80.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.961 0.504 . . . . 0.0 111.52 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.07 -30.65 69.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.075 -1.016 . . . . 0.0 113.287 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -66.21 -11.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.87 -32.53 6.58 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.926 1.29 . . . . 0.0 113.169 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -82.89 -40.6 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.103 1.361 . . . . 0.0 111.966 177.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.8 m -110.31 -6.42 15.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.009 1.724 . . . . 0.0 113.797 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.38 154.21 26.19 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.072 1.32 . . . . 0.0 114.372 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.84 -5.15 49.91 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -78.03 57.12 1.72 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.043 1.737 . . . . 0.0 111.433 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.46 -65.46 1.69 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.754 1.645 . . . . 0.0 111.972 -168.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.606 ' H ' ' HA ' ' B' ' 26' ' ' TYR . 9.6 t80 -145.56 -45.15 0.21 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.237 1.415 . . . . 0.0 114.482 -167.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.606 ' HA ' ' H ' ' B' ' 25' ' ' PHE . 83.2 t80 -83.86 150.13 25.92 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 130.251 3.421 . . . . 0.0 112.764 -12.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 10.5 t -146.23 131.49 9.14 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.967 1.307 . . . . 0.0 109.722 168.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.78 154.66 34.42 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.187 2.591 . . . . 0.0 112.994 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -70.95 148.28 47.85 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.542 1.137 . . . . 0.0 111.705 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.252 1.191 0 C-N-CA 125.325 1.45 . . . . 0.0 112.848 168.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.108 -0.829 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.268 24.8 pt 42.98 -149.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 127.11 2.164 . . . . 0.0 113.69 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.7 m -78.7 -26.83 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -144.97 146.64 32.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.574 1.95 . . . . 0.0 110.404 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.83 159.09 42.96 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -171.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.69 65.86 0.71 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.342 1.857 . . . . 0.0 113.013 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.8 t -136.22 -36.14 0.74 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.373 1.869 . . . . 0.0 111.903 177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -69.26 -28.9 66.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.723 1.209 . . . . 0.0 111.951 174.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -149.82 170.03 19.72 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.162 1.785 . . . . 0.0 111.076 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.9 mt -89.69 130.2 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.526 1.53 . . . . 0.0 109.34 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.6 m -97.29 137.21 36.65 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -170.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.3 t -75.0 158.51 33.12 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.504 1.121 . . . . 0.0 111.278 165.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.3 mm? -61.02 -34.69 75.23 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.211 -0.931 . . . . 0.0 112.112 -177.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -59.27 -37.82 78.6 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.787 0.835 . . . . 0.0 112.407 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.02 -40.3 71.85 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.211 0.605 . . . . 0.0 110.529 176.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.0 mt -65.02 -34.2 77.85 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.525 0.73 . . . . 0.0 112.629 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.04 -33.09 74.78 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.03 -1.044 . . . . 0.0 113.045 171.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -65.36 -25.58 67.64 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -67.19 -31.75 72.37 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.331 1.052 . . . . 0.0 112.97 170.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 t -94.2 -34.89 12.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.532 1.133 . . . . 0.0 112.967 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.544 0.712 0 C-N-CA 124.808 1.243 . . . . 0.0 112.131 -178.88 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 p90 . . . . . 0 CA--C 1.539 0.558 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 p -85.66 -21.68 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.733 1.213 . . . . 0.0 112.454 173.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -125.33 9.57 7.91 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.239 1.815 . . . . 0.0 113.862 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -148.23 160.58 42.8 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.393 1.477 . . . . 0.0 112.036 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -72.68 155.13 40.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.358 1.063 . . . . 0.0 110.762 166.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.6 -62.05 1.48 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.969 0.908 . . . . 0.0 110.556 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 57.0 m 62.26 -129.31 0.64 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.31 1.844 . . . . 0.0 113.637 175.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.83 -6.48 67.45 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.099 1.333 . . . . 0.0 115.396 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -125.43 179.52 5.08 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.321 1.848 . . . . 0.0 109.754 168.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 62.0 m80 62.34 -34.16 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.726 2.41 . . . . 0.0 117.484 177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.29 -55.2 37.82 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.465 1.506 . . . . 0.0 113.477 -162.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -39.6 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 122.012 -0.43 . . . . 0.0 111.248 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.63 -49.62 62.07 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.335 0.654 . . . . 0.0 111.7 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.56 -42.76 93.14 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.319 1.048 . . . . 0.0 111.967 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.12 -38.1 87.37 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.719 -0.613 . . . . 0.0 111.894 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -72.53 -36.47 68.32 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 172.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.0 -42.52 94.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 112.23 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -71.14 -33.6 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.83 0.852 . . . . 0.0 111.622 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.64 0.85 18.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 170.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.99 -46.78 2.46 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.553 2.025 . . . . 0.0 114.585 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -125.38 161.42 27.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.878 1.671 . . . . 0.0 112.265 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -70.71 159.61 34.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.214 1.005 . . . . 0.0 112.104 172.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.36 -178.21 53.47 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.428 1.013 . . . . 0.0 113.078 -169.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -74.27 153.22 39.48 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.129 0.972 . . . . 0.0 111.156 162.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -139.54 -63.05 0.52 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.629 1.172 . . . . 0.0 113.076 -175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.306 11.6 t 50.3 125.57 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.099 0 C-N-CA 128.86 2.864 . . . . 0.0 115.791 -161.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.51 160.06 47.57 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.003 2.469 . . . . 0.0 112.118 174.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -71.13 147.49 48.36 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.471 1.108 . . . . 0.0 111.795 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.629 1.571 . . . . 0.0 111.649 168.532 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -73.24 -30.56 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.215 1.006 . . . . 0.0 113.402 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -75.71 135.16 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.904 1.282 . . . . 0.0 111.521 -170.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -76.95 -42.75 37.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.59 2.356 . . . . 0.0 111.967 -6.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -146.54 160.4 42.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.623 1.969 . . . . 0.0 110.074 169.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.2 t -69.26 95.31 0.76 Allowed 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.697 -0.627 . . . . 0.0 109.428 164.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.2 -25.19 1.37 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -163.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.5 m -73.63 -39.45 64.52 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.191 -0.943 . . . . 0.0 111.212 175.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.6 m -130.42 156.21 45.13 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.373 1.869 . . . . 0.0 110.515 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 10' ' ' ILE . 2.4 mp -75.33 118.76 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.05 129.32 39.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.241 0.543 . . . . 0.0 111.959 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -68.02 157.21 35.65 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.998 0.919 . . . . 0.0 110.844 165.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.84 -30.37 67.62 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.145 -0.972 . . . . 0.0 112.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -59.83 -35.58 75.04 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.073 0.949 . . . . 0.0 112.786 170.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -77.55 -34.31 53.86 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.397 -0.814 . . . . 0.0 110.963 177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.53 -42.92 91.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 122.489 0.316 . . . . 0.0 111.008 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.8 -34.23 71.25 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.453 1.101 . . . . 0.0 112.419 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -67.06 -24.01 65.93 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.338 -0.851 . . . . 0.0 112.955 173.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -80.91 -33.26 34.3 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.563 1.074 . . . . 0.0 112.178 168.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.7 m -74.89 -20.76 59.58 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 175.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.346 1.858 . . . . 0.0 110.651 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.27 129.46 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 O-C-N 121.431 -0.793 . . . . 0.0 112.915 -166.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -141.23 111.32 6.69 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.418 1.487 . . . . 0.0 109.382 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -67.51 145.7 54.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.151 2.58 . . . . 0.0 112.491 -1.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -149.5 19.46 0.93 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 129.226 3.01 . . . . 0.0 113.703 -0.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 mt 46.77 -133.1 1.11 Allowed 'General case' 0 CA--C 1.549 0.932 0 O-C-N 121.251 -0.905 . . . . 0.0 110.48 -149.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 5.1 t 55.12 -177.12 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.872 1.669 . . . . 0.0 113.451 -168.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.71 -138.85 43.65 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.736 1.16 . . . . 0.0 113.207 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m -68.32 -30.95 70.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.536 0.734 . . . . 0.0 112.841 174.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -70.72 -29.7 66.03 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 120.934 -1.103 . . . . 0.0 113.169 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.42 -45.42 91.04 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.612 0.642 . . . . 0.0 112.338 173.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.4 m -72.63 -36.48 53.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.777 -0.577 . . . . 0.0 111.456 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.81 -31.09 72.15 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.07 -48.11 63.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.108 0.867 . . . . 0.0 111.601 168.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.82 -29.88 71.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.269 -0.894 . . . . 0.0 113.006 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -56.01 -27.75 54.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.485 1.114 . . . . 0.0 113.11 172.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.28 -46.32 5.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.811 1.244 . . . . 0.0 111.928 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.47 -38.7 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 123.859 0.863 . . . . 0.0 111.7 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.15 6.45 11.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.99 -16.57 52.93 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.118 -0.989 . . . . 0.0 113.924 169.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -77.13 -14.28 59.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.867 1.267 . . . . 0.0 113.49 170.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 48.68 52.86 13.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.098 2.159 . . . . 0.0 113.862 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.51 10.34 37.66 Favored Glycine 0 CA--C 1.54 1.62 0 N-CA-C 116.622 1.409 . . . . 0.0 116.622 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -138.17 148.99 45.43 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.253 1.821 . . . . 0.0 110.083 167.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -148.22 156.14 42.21 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.445 1.498 . . . . 0.0 111.034 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.3 p -115.64 78.33 6.72 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 126.601 1.961 . . . . 0.0 111.034 -177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -64.68 141.23 71.68 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.815 2.343 . . . . 0.0 111.656 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -107.36 19.68 19.96 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.329 1.451 . . . . 0.0 113.818 -172.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.254 1.319 0 C-N-CA 126.92 2.088 . . . . 0.0 111.772 -179.317 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.3 mm -78.48 151.85 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.084 0.954 . . . . 0.0 110.763 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 31.8 m -80.07 166.98 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.716 1.206 . . . . 0.0 112.028 173.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.19 64.07 3.25 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.074 -1.016 . . . . 0.0 112.15 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -58.05 -31.48 67.08 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.002 -1.062 . . . . 0.0 112.106 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.9 m -70.51 -2.93 15.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.976 1.311 . . . . 0.0 114.022 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.19 -26.23 39.32 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.723 1.209 . . . . 0.0 112.96 175.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.6 p -121.08 -38.54 2.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.201 1.4 . . . . 0.0 112.846 -176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.4 m -94.4 154.79 17.29 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.551 1.14 . . . . 0.0 110.658 165.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.9 mt -95.53 110.28 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 76.0 m -76.98 114.61 15.97 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.806 0.843 . . . . 0.0 112.128 -173.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 t -66.89 161.74 23.34 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.664 0.786 . . . . 0.0 111.03 165.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.76 -40.86 76.59 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.518 1.127 . . . . 0.0 111.193 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -58.76 -36.8 74.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.64 1.176 . . . . 0.0 113.121 172.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -75.08 -32.92 61.6 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.067 -1.021 . . . . 0.0 112.049 177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.82 -37.31 87.2 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.072 0.396 . . . . 0.0 111.636 170.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.29 -30.19 71.38 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.027 -1.046 . . . . 0.0 112.543 170.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.6 -8.42 47.26 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -74.19 -19.38 60.56 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.349 0.977 . . . . 0.0 112.618 165.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.2 m -119.05 -21.59 7.6 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.122 1.769 . . . . 0.0 112.939 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 . . . . . 0 CA--C 1.543 0.709 0 C-N-CA 127.331 2.253 . . . . 0.0 112.712 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.67 -26.12 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 125.136 1.374 . . . . 0.0 113.663 -173.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -82.0 -21.25 37.16 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.488 1.115 . . . . 0.0 113.766 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -139.1 169.11 18.39 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.762 1.625 . . . . 0.0 111.334 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -61.59 143.21 56.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.784 1.234 . . . . 0.0 113.103 178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -118.26 121.36 40.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.68 1.592 . . . . 0.0 108.518 173.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 t -156.26 136.45 12.91 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.45 -39.08 0.72 Allowed Glycine 0 CA--C 1.538 1.499 0 C-N-CA 126.375 1.941 . . . . 0.0 114.889 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -135.27 167.65 20.63 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.81 2.444 . . . . 0.0 110.699 174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 63.42 -28.87 0.09 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.264 2.626 . . . . 0.0 117.676 175.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.3 tp -56.15 -47.48 78.13 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.269 1.395 . . . . 0.0 112.228 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -65.45 -36.47 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 123.276 0.63 . . . . 0.0 112.269 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.91 -44.91 68.71 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.805 0.842 . . . . 0.0 111.082 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.74 89.56 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.578 0.751 . . . . 0.0 111.53 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.9 mt -66.61 -41.77 87.89 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -66.58 -30.09 70.3 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.36 0.982 . . . . 0.0 113.174 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.76 -36.14 50.99 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.825 0.85 . . . . 0.0 112.849 176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.66 -46.6 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.855 1.262 . . . . 0.0 111.208 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -91.67 53.61 2.28 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.885 1.274 . . . . 0.0 111.229 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.01 -30.03 69.26 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.784 1.183 . . . . 0.0 115.274 -170.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -80.28 64.76 5.2 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.503 1.121 . . . . 0.0 109.536 166.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -68.94 145.13 53.9 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.816 1.414 . . . . 0.0 114.816 -162.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.0 139.63 5.08 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.293 1.902 . . . . 0.0 110.443 176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.2 t80 63.06 -41.03 0.19 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 128.451 2.701 . . . . 0.0 115.663 -174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 64.55 -50.14 0.31 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.539 3.136 . . . . 0.0 118.316 160.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.1 p 44.05 69.22 2.53 Favored Pre-proline 0 N--CA 1.484 1.226 0 C-N-CA 127.515 2.326 . . . . 0.0 115.218 171.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -75.07 -13.98 21.11 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.623 2.882 . . . . 0.0 115.045 -172.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 mttm 60.18 175.17 0.09 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.954 2.102 . . . . 0.0 113.987 -171.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 126.353 1.861 . . . . 0.0 110.918 -179.605 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.453 HG22 ' H ' ' A' ' 3' ' ' VAL . 3.4 mm 60.75 169.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 126.367 1.867 . . . . 0.0 112.575 -170.149 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' H ' HG22 ' A' ' 2' ' ' ILE . 14.7 p -138.65 143.85 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.716 1.606 . . . . 0.0 110.6 174.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -78.79 51.2 1.07 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.822 1.249 . . . . 0.0 114.172 -173.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.1 -20.68 55.71 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.7 1.2 . . . . 0.0 113.124 177.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.01 -3.0 6.07 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 172.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -72.56 -24.83 61.17 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.808 -1.183 . . . . 0.0 112.861 169.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.5 p -126.6 -35.21 2.36 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.248 1.419 . . . . 0.0 113.366 -178.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -90.98 176.12 6.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.24 1.416 . . . . 0.0 110.828 162.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -117.87 138.41 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.602 1.161 . . . . 0.0 110.251 -178.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.1 p -132.21 166.63 21.42 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.927 1.691 . . . . 0.0 112.326 -172.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -137.87 178.8 6.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.002 1.321 . . . . 0.0 111.669 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -48.86 -42.98 38.32 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.124 1.77 . . . . 0.0 112.925 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -57.87 -34.89 70.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.332 1.053 . . . . 0.0 113.413 176.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -80.02 -41.22 26.22 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.66 0.784 . . . . 0.0 111.125 176.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -26.8 67.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -58.12 -29.07 65.23 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.245 -0.91 . . . . 0.0 113.187 170.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -64.94 -16.0 62.8 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.868 1.213 . . . . 0.0 113.552 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -77.04 -13.91 59.89 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.924 1.29 . . . . 0.0 113.414 175.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 p -145.96 -40.94 0.22 Allowed 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -170.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 124.61 1.164 . . . . 0.0 111.655 179.734 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.278 5.6 p 53.61 -44.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.317 1 C-N-CA 132.437 4.295 . . . . 0.0 118.471 168.472 . . . . . . . . 3 2 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -122.42 -7.71 8.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.88 2.072 . . . . 0.0 112.714 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -133.83 150.14 51.39 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.987 1.315 . . . . 0.0 113.131 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -66.75 157.14 33.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.669 1.987 . . . . 0.0 113.24 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -137.07 121.96 18.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.648 1.579 . . . . 0.0 109.919 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 t -142.78 149.64 38.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.552 1.141 . . . . 0.0 111.403 -175.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.46 -132.44 42.98 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 123.836 0.731 . . . . 0.0 113.673 175.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.7 m -57.04 -33.81 67.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.239 1.016 . . . . 0.0 113.563 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -69.03 -34.31 75.02 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.408 -0.807 . . . . 0.0 112.11 177.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.79 -38.06 73.34 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.121 0.568 . . . . 0.0 111.56 171.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.64 -44.85 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.096 0.862 . . . . 0.0 111.174 174.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.98 -42.72 97.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.501 -0.75 . . . . 0.0 112.189 174.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.62 90.55 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.52 -0.738 . . . . 0.0 112.587 175.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.83 -38.33 86.2 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.024 0.93 . . . . 0.0 111.963 174.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -70.14 -26.04 63.75 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.41 -34.47 76.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.489 1.116 . . . . 0.0 112.933 169.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.4 t -92.4 -46.04 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.744 1.218 . . . . 0.0 112.743 -174.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.66 96.73 6.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.93 1.292 . . . . 0.0 109.457 174.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.76 -29.09 73.5 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 123.903 0.764 . . . . 0.0 114.208 -177.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.38 121.85 26.75 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.43 1.092 . . . . 0.0 109.698 167.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -77.31 -15.7 59.3 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.64 -27.57 73.58 Favored Glycine 0 CA--C 1.54 1.643 0 CA-C-N 118.243 0.474 . . . . 0.0 113.189 161.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 32.1 t80 51.23 -105.0 0.18 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.928 1.291 . . . . 0.0 111.868 -174.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.9 t80 62.59 -50.0 0.18 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 129.144 2.978 . . . . 0.0 117.025 174.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 75.8 p 43.34 66.78 4.24 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 127.694 2.397 . . . . 0.0 115.082 170.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.6 157.73 57.89 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.587 2.858 . . . . 0.0 112.812 -177.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -81.34 155.66 25.88 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.801 1.24 . . . . 0.0 112.17 176.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 43.8 m . . . . . 0 C--O 1.251 1.148 0 C-N-CA 126.354 1.862 . . . . 0.0 110.996 -179.101 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 2' ' ' ILE . . . . . . . . 0 N--CA 1.477 1.413 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.454 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 2.7 mm -107.46 -16.98 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 128.681 2.792 . . . . 0.0 112.246 -0.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.6 m -60.16 -26.76 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -165.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -70.89 -10.99 60.69 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 174.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -89.66 -41.44 11.94 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.01 1.324 . . . . 0.0 112.604 174.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.4 m -133.84 4.6 3.58 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 -165.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -103.4 142.23 34.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.114 1.324 . . . . 0.0 111.157 168.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.0 p 54.15 17.91 1.6 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 126.027 1.731 . . . . 0.0 114.703 -170.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -153.29 151.94 30.58 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.642 1.977 . . . . 0.0 111.065 -171.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.1 mt -76.06 133.89 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.553 0.741 . . . . 0.0 110.901 -173.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -134.64 140.3 45.95 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.239 1.016 . . . . 0.0 113.121 171.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.66 158.64 32.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.932 1.293 . . . . 0.0 111.197 162.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.85 -21.26 65.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.162 -0.961 . . . . 0.0 113.477 171.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -61.57 -30.18 70.5 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.932 0.893 . . . . 0.0 112.232 167.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -89.02 -33.18 17.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.187 0.995 . . . . 0.0 111.292 -178.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.25 -21.98 60.42 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 173.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -55.9 -22.37 25.31 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 169.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -64.5 -24.63 67.68 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.14 1.336 . . . . 0.0 113.138 175.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -75.67 -13.66 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 112.796 171.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.8 -48.37 2.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.816 1.246 . . . . 0.0 113.422 -166.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.512 1.125 . . . . 0.0 111.788 -169.761 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.1 t80 . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -128.43 -13.48 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.654 1.582 . . . . 0.0 113.476 -168.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 -137.77 20.26 2.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.95 1.7 . . . . 0.0 113.528 -171.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -139.18 170.15 16.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.408 1.483 . . . . 0.0 112.341 -177.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -77.9 -11.19 59.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 59.39 -34.9 0.06 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 130.732 3.613 . . . . 0.0 118.852 171.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 t -80.64 138.4 36.41 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 119.896 -1.752 . . . . 0.0 113.416 -159.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.45 -31.57 8.81 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 128.07 2.748 . . . . 0.0 114.807 -7.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.51 -50.49 58.56 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.178 0.989 . . . . 0.0 113.015 -167.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -68.06 -29.09 67.97 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.576 -0.702 . . . . 0.0 112.356 179.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.34 -47.61 78.7 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.658 1.183 . . . . 0.0 110.704 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.58 -44.3 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.577 0.751 . . . . 0.0 111.293 176.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.34 -39.92 95.87 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.469 -0.769 . . . . 0.0 112.835 177.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.46 85.81 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.646 -0.659 . . . . 0.0 111.801 174.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -70.73 -23.72 62.49 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -74.02 -3.62 30.39 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 167.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -116.63 -39.72 3.28 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.159 1.384 . . . . 0.0 112.86 176.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 74.4 t -74.58 -30.37 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 125.233 1.413 . . . . 0.0 111.272 173.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -128.83 -165.88 1.56 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.55 1.94 . . . . 0.0 109.536 169.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -47.78 2.47 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.622 1.582 . . . . 0.0 113.496 -178.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.2 -24.53 64.95 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.703 1.201 . . . . 0.0 111.403 163.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -113.34 153.45 28.48 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.492 1.917 . . . . 0.0 110.467 167.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.0 130.12 38.71 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.57 0.605 . . . . 0.0 112.688 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 33.5 t80 45.26 69.0 0.49 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.19 1.796 . . . . 0.0 114.39 177.266 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.32 138.9 58.25 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.485 -0.759 . . . . 0.0 111.635 169.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 29.7 p -132.78 129.12 21.1 Favored Pre-proline 0 N--CA 1.472 0.649 0 C-N-CA 124.775 1.23 . . . . 0.0 110.533 170.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -76.59 159.97 35.22 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.238 2.625 . . . . 0.0 112.627 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -141.52 143.19 33.65 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.727 1.611 . . . . 0.0 111.006 178.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.554 1.942 . . . . 0.0 113.113 -178.157 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.77 138.18 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.794 0.838 . . . . 0.0 110.834 178.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.91 -31.4 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.267 1.027 . . . . 0.0 113.628 -170.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -82.81 -11.37 58.31 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.18 0.992 . . . . 0.0 113.144 174.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 49.39 26.72 1.71 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.79 2.036 . . . . 0.0 114.842 178.049 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.8 m 45.88 34.06 1.79 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.772 1.229 . . . . 0.0 113.842 -170.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 t -121.8 137.61 54.7 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.349 1.46 . . . . 0.0 110.265 -173.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.264 14.3 p 55.51 -34.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 128.653 2.781 . . . . 0.0 115.974 -161.286 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.4 m -90.69 152.76 20.71 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.829 1.652 . . . . 0.0 111.615 160.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mt -100.82 146.86 8.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.465 1.506 . . . . 0.0 112.192 -168.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -132.76 166.47 22.15 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.092 1.357 . . . . 0.0 113.256 178.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -141.12 172.26 12.92 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.722 2.009 . . . . 0.0 110.475 171.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -56.67 -29.6 62.5 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 176.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -63.12 -28.36 70.01 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.069 0.948 . . . . 0.0 113.091 171.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.66 -47.17 27.48 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.607 -0.683 . . . . 0.0 109.879 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 mt -59.97 -44.05 94.69 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.672 0.389 . . . . 0.0 111.535 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -65.79 -23.98 66.82 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.131 -0.981 . . . . 0.0 113.618 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -82.02 -28.0 32.77 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.031 1.332 . . . . 0.0 112.451 174.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -72.76 -30.16 63.91 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.28 -0.887 . . . . 0.0 112.068 174.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 88.1 m -66.91 -39.15 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.669 0.788 . . . . 0.0 112.828 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 125.026 1.33 . . . . 0.0 110.873 174.575 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.85 129.43 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.464 1.506 . . . . 0.0 111.435 177.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.02 38.43 12.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.91 2.084 . . . . 0.0 113.876 178.6 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 169.25 21.43 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 113.211 -175.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -72.73 143.66 47.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.806 169.015 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.9 tp -144.99 62.53 1.3 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.177 1.391 . . . . 0.0 110.442 -174.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 m -73.11 163.82 27.58 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.255 1.022 . . . . 0.0 112.587 179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.74 -155.96 49.66 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.451 1.024 . . . . 0.0 115.448 167.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -60.99 -23.5 65.43 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.764 1.226 . . . . 0.0 114.135 -175.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -59.94 -27.22 66.6 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.085 0.954 . . . . 0.0 112.618 174.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.41 -51.13 62.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.07 0.948 . . . . 0.0 112.07 177.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 m -72.17 -32.43 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.057 0.543 . . . . 0.0 112.388 -177.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -63.73 -45.75 88.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.02 0.528 . . . . 0.0 111.353 170.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.88 82.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.561 -0.712 . . . . 0.0 112.511 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -60.84 -44.91 96.32 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 121.405 -0.809 . . . . 0.0 111.74 174.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.54 -36.53 84.5 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 172.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.35 -35.05 73.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.167 0.894 . . . . 0.0 113.403 177.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -74.26 -47.25 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.472 1.109 . . . . 0.0 111.448 176.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 61.0 m -89.51 -27.69 20.14 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -168.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.33 -123.79 26.49 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.552 1.072 . . . . 0.0 114.287 168.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.67 -1.73 56.52 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.965 1.306 . . . . 0.0 114.058 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -68.76 151.75 46.23 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.364 1.066 . . . . 0.0 111.521 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.6 145.98 48.69 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.736 0.684 . . . . 0.0 113.649 173.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 t80 57.95 153.65 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.785 2.834 . . . . 0.0 117.066 -174.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -159.37 153.17 23.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.752 1.621 . . . . 0.0 111.352 174.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 24.2 p -125.8 118.57 24.19 Favored Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 124.63 1.172 . . . . 0.0 110.236 166.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -69.42 157.23 61.8 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.933 2.422 . . . . 0.0 113.755 176.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -134.04 154.35 51.21 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.12 1.768 . . . . 0.0 111.112 172.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.589 1.956 . . . . 0.0 113.053 -178.305 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.948 -0.461 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.1 mm -72.83 -49.36 40.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.872 0.869 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.66 162.41 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 126.992 2.117 . . . . 0.0 110.43 176.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.62 -1.7 25.82 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -59.48 -29.28 67.72 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -172.027 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.9 m -90.04 2.3 55.35 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 175.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.3 m -103.7 -38.74 6.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.161 1.785 . . . . 0.0 111.956 167.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -82.56 -28.99 30.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.376 1.07 . . . . 0.0 112.812 177.034 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 t -133.3 -178.56 5.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.731 2.012 . . . . 0.0 110.725 173.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mt -111.74 129.28 67.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.202 1.401 . . . . 0.0 109.762 -170.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.02 138.02 45.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.216 1.006 . . . . 0.0 113.639 -170.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -89.8 162.99 15.24 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.961 1.704 . . . . 0.0 112.235 173.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -58.8 -36.39 74.4 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.046 0.938 . . . . 0.0 113.458 -172.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -58.7 -37.63 76.49 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.491 1.116 . . . . 0.0 112.728 175.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -68.3 -31.69 71.31 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.596 -0.69 . . . . 0.0 111.078 178.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.3 mt -72.2 -43.06 65.06 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.119 0.568 . . . . 0.0 111.273 175.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.89 -31.58 66.89 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.275 -0.891 . . . . 0.0 112.896 173.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.16 -20.82 65.8 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 177.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -85.24 -25.44 27.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.277 0.944 . . . . 0.0 112.851 170.057 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -80.25 -30.18 38.43 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.495 1.118 . . . . 0.0 112.913 175.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.25 1.42 . . . . 0.0 112.464 178.075 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.284 12.2 m 52.33 -7.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 130.223 3.409 . . . . 0.0 118.766 172.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -157.03 135.02 11.01 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.455 1.902 . . . . 0.0 109.759 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -78.96 -152.57 0.06 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 128.57 2.748 . . . . 0.0 110.838 -8.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -51.33 146.82 6.46 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.554 1.942 . . . . 0.0 112.434 177.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 81.9 mt -88.53 12.22 15.07 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.183 0.993 . . . . 0.0 113.451 -174.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.65 164.03 20.11 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.42 -1.425 . . . . 0.0 113.05 -178.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.49 41.81 24.06 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.3 -0.875 . . . . 0.0 113.273 -174.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.9 m 62.69 7.91 2.74 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.123 2.169 . . . . 0.0 116.658 -178.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -68.02 -27.93 66.97 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.582 -1.324 . . . . 0.0 111.614 169.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.91 -48.26 82.06 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.046 1.738 . . . . 0.0 112.945 177.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.51 -36.43 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 118.467 0.576 . . . . 0.0 111.835 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.61 -43.86 97.75 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.84 -0.537 . . . . 0.0 111.445 171.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.16 98.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.35 0.66 . . . . 0.0 111.737 174.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.46 -46.56 89.53 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.148 0.979 . . . . 0.0 112.235 177.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -62.09 -44.61 96.3 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 122.968 0.507 . . . . 0.0 112.164 177.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -72.41 -31.65 65.69 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.9 t -71.88 -47.32 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.256 1.022 . . . . 0.0 111.513 175.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.9 m -88.97 -32.03 17.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -169.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.64 -131.49 12.01 Favored Glycine 0 CA--C 1.538 1.502 0 N-CA-C 116.785 1.474 . . . . 0.0 116.785 161.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.93 -28.77 70.06 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.737 1.215 . . . . 0.0 114.063 -171.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . 0.296 0.0 OUTLIER -88.66 6.74 36.95 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 175.511 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.74 130.74 1.52 Allowed Glycine 0 CA--C 1.538 1.515 0 C-N-CA 126.232 1.873 . . . . 0.0 113.685 171.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 48.2 t80 64.38 154.94 0.06 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.612 2.365 . . . . 0.0 115.786 175.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -155.78 147.92 23.48 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.538 1.535 . . . . 0.0 111.677 -177.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -133.57 137.24 28.44 Favored Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.112 0.965 . . . . 0.0 110.18 160.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.09 142.46 34.41 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.707 2.272 . . . . 0.0 111.178 173.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.1 mmpt? -88.14 156.17 19.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.465 1.106 . . . . 0.0 112.069 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.818 1.647 . . . . 0.0 113.19 177.547 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.57 155.48 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 124.106 0.962 . . . . 0.0 112.999 178.653 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.28 -30.9 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.15 1.166 . . . . 0.0 114.15 178.203 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.48 -34.03 71.92 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.141 -0.974 . . . . 0.0 113.041 -177.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 50.51 33.17 7.5 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.873 1.669 . . . . 0.0 114.57 168.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.9 m 56.5 -80.72 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.812 1.645 . . . . 0.0 113.035 -162.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.9 m 37.51 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 130.444 3.498 . . . . 0.0 117.266 170.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 m -61.64 -22.44 65.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.56 1.544 . . . . 0.0 112.798 175.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -129.95 160.43 33.62 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.921 1.688 . . . . 0.0 113.039 176.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.3 mt -91.82 108.82 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.502 1.121 . . . . 0.0 108.235 175.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -72.75 141.13 48.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.3 t -88.33 163.95 15.79 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.264 1.426 . . . . 0.0 110.946 161.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -53.02 -41.28 64.56 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.336 1.455 . . . . 0.0 112.089 -177.289 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.88 -35.74 64.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.535 1.134 . . . . 0.0 113.496 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -79.44 -35.86 39.8 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.105 0.962 . . . . 0.0 111.128 178.061 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.02 -34.29 75.93 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.65 0.78 . . . . 0.0 112.293 176.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.44 -22.95 64.02 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.21 -32.39 71.63 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.065 -1.022 . . . . 0.0 112.653 177.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -76.43 -9.35 58.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.285 1.034 . . . . 0.0 113.327 178.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 23.5 m -75.3 -13.85 60.45 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.718 1.207 . . . . 0.0 111.979 -179.246 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.87 -45.12 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 126.119 1.768 . . . . 0.0 112.838 -176.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -156.22 158.63 37.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.145 0.978 . . . . 0.0 112.73 -172.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -92.74 88.36 6.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.763 1.225 . . . . 0.0 109.889 162.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -121.4 173.61 7.26 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 130.26 3.424 . . . . 0.0 112.335 8.648 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -80.38 86.83 5.67 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.508 1.123 . . . . 0.0 110.343 173.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -140.85 151.61 44.46 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.559 1.144 . . . . 0.0 110.243 174.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.63 -128.44 47.46 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.601 -0.687 . . . . 0.0 112.623 -177.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.5 p -58.68 -32.44 69.13 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -69.19 -34.13 74.44 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.201 0.91 . . . . 0.0 112.766 176.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.73 -43.2 80.55 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.044 0.538 . . . . 0.0 110.888 170.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.33 -46.56 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.392 0.677 . . . . 0.0 111.059 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.6 -45.05 95.73 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.922 0.783 . . . . 0.0 112.279 173.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.55 93.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 122.986 0.514 . . . . 0.0 112.343 178.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.11 -33.36 59.46 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.341 -0.838 . . . . 0.0 113.056 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -60.38 -32.63 71.48 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.68 1.582 . . . . 0.0 112.541 171.061 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.74 -15.13 59.85 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -120.02 -44.04 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.625 1.17 . . . . 0.0 112.979 -172.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.8 -20.94 13.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.58 1.552 . . . . 0.0 114.079 -178.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.94 149.29 34.33 Favored Glycine 0 CA--C 1.542 1.769 0 C-N-CA 124.43 1.014 . . . . 0.0 114.613 -168.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.51 -18.86 58.5 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.302 2.641 . . . . 0.0 114.253 5.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 52.34 27.13 4.55 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.186 1.794 . . . . 0.0 114.584 177.798 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.55 18.79 56.92 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.594 1.093 . . . . 0.0 114.815 -175.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 62.83 -50.88 0.19 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.076 2.95 . . . . 0.0 116.921 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 65.3 t80 47.97 82.4 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.74 2.016 . . . . 0.0 113.092 -165.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 22.4 p -116.3 78.82 8.4 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 125.484 1.514 . . . . 0.0 109.927 176.204 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.91 157.05 63.43 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.538 2.825 . . . . 0.0 112.994 -174.019 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -144.48 148.14 34.17 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.466 1.506 . . . . 0.0 111.516 -177.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.207 1.803 . . . . 0.0 112.638 -178.412 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.7 tt -152.84 139.92 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.664 1.186 . . . . 0.0 111.663 -175.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -153.22 35.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.772 1.229 . . . . 0.0 112.088 178.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.0 4.85 5.92 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -169.211 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 68.05 149.19 0.06 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 128.059 2.544 . . . . 0.0 115.72 177.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.2 t -107.78 -37.78 6.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.109 1.364 . . . . 0.0 111.593 176.16 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 44.38 -88.67 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 129.93 3.292 . . . . 0.0 116.703 165.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 p -73.19 -16.14 61.43 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.528 1.131 . . . . 0.0 113.287 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -106.9 161.99 14.22 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.806 1.642 . . . . 0.0 112.09 172.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -90.71 129.26 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.436 1.494 . . . . 0.0 109.466 178.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m -115.36 84.47 2.1 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.989 0.915 . . . . 0.0 110.553 174.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -66.16 171.24 4.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.668 1.187 . . . . 0.0 111.991 170.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -46.32 -41.45 13.31 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.48 -39.02 89.39 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.25 -31.96 58.61 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.238 -0.914 . . . . 0.0 111.857 175.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.94 -32.98 74.95 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.987 -0.445 . . . . 0.0 112.03 171.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.7 -24.76 61.04 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.318 -0.864 . . . . 0.0 113.17 166.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -67.12 -28.6 68.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.643 -1.286 . . . . 0.0 112.337 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -63.14 -16.05 58.77 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.995 -1.066 . . . . 0.0 113.75 171.405 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.2 m -76.66 -14.54 59.96 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 CA--C 1.54 0.59 0 C-N-CA 124.741 1.216 . . . . 0.0 111.737 -179.903 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 32.4 p90 . . . . . 0 CA--C 1.54 0.585 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.4 m -67.01 -16.76 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -163.262 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -152.01 50.18 0.79 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.737 2.015 . . . . 0.0 110.18 178.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -132.31 160.94 34.79 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -168.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -66.18 132.37 48.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.688 1.195 . . . . 0.0 110.341 162.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 87.2 mt -137.88 96.76 3.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.978 0.911 . . . . 0.0 110.995 -173.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.56 -151.76 0.21 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.191 1.396 . . . . 0.0 111.952 -177.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.23 135.83 39.85 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.951 -1.093 . . . . 0.0 111.227 165.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 20.9 p 59.35 162.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.367 1.867 . . . . 0.0 114.415 -161.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 63.02 -38.01 0.16 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 127.725 2.41 . . . . 0.0 116.0 -172.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.28 -40.91 78.73 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.896 1.226 . . . . 0.0 111.439 167.19 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -56.66 -49.85 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.032 1.333 . . . . 0.0 110.172 176.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.44 -38.87 85.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.77 0.828 . . . . 0.0 111.928 179.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.29 99.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.721 0.809 . . . . 0.0 112.024 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -71.29 -33.83 70.09 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.708 -1.245 . . . . 0.0 113.078 -179.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.81 6.77 2.97 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 169.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.97 -8.55 10.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.636 1.574 . . . . 0.0 113.821 167.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -126.36 -55.65 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.807 1.243 . . . . 0.0 113.189 -173.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.5 t -85.55 -33.39 21.75 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.654 0.661 . . . . 0.0 112.336 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.62 -175.17 13.7 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.234 1.397 . . . . 0.0 112.233 171.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.03 -108.63 0.27 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.401 1.481 . . . . 0.0 109.402 172.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -73.78 -12.76 60.8 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.067 0.947 . . . . 0.0 112.93 166.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.93 -172.78 29.78 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 126.987 2.232 . . . . 0.0 111.844 174.389 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -151.99 160.27 43.52 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.526 1.93 . . . . 0.0 109.954 173.596 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -151.1 138.3 19.28 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.853 0.861 . . . . 0.0 112.962 175.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -104.56 111.32 65.19 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 126.229 1.812 . . . . 0.0 110.942 174.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.09 73.75 5.61 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.835 3.024 . . . . 0.0 112.017 -178.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 -179.69 6.02 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.91 2.084 . . . . 0.0 112.008 178.638 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.471 1.908 . . . . 0.0 113.553 -179.573 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp -142.0 137.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.853 1.261 . . . . 0.0 111.183 179.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.6 m -87.83 2.48 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 125.273 1.429 . . . . 0.0 114.307 -175.131 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -128.62 132.45 48.14 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 127.033 2.133 . . . . 0.0 108.758 174.232 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -131.8 140.61 49.23 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.127 0.571 . . . . 0.0 112.498 -171.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.96 41.01 0.49 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.416 1.487 . . . . 0.0 112.459 174.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -87.11 -25.71 24.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.255 1.422 . . . . 0.0 111.896 177.012 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.2 t -117.63 136.14 53.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.789 1.636 . . . . 0.0 109.027 162.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t 56.58 153.77 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.693 1.197 . . . . 0.0 113.584 -148.372 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.2 mt -89.6 -24.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.583 1.153 . . . . 0.0 111.822 -173.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.0 m 62.01 160.43 0.07 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.303 2.241 . . . . 0.0 115.917 -175.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 m -97.64 153.41 18.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.559 1.544 . . . . 0.0 110.629 164.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.84 -25.19 68.14 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.056 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -56.14 -34.77 66.43 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.775 0.83 . . . . 0.0 112.853 171.061 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -71.08 -36.86 72.4 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.42 -0.8 . . . . 0.0 111.027 178.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.33 -45.76 79.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.615 0.766 . . . . 0.0 110.721 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.69 -33.71 68.66 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.519 -0.738 . . . . 0.0 112.411 172.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -68.61 -23.62 64.48 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.223 -0.923 . . . . 0.0 113.453 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.0 -11.73 60.9 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.838 -1.164 . . . . 0.0 113.207 169.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 62.0 m -109.77 -0.53 18.41 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 127.413 2.285 . . . . 0.0 113.276 175.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.1 t30 . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 126.12 1.768 . . . . 0.0 112.024 -174.335 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 16.0 t80 . . . . . 0 CA--C 1.54 0.564 0 CA-C-O 121.167 0.508 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -112.62 -1.8 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.951 1.7 . . . . 0.0 111.535 161.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -123.84 5.31 8.75 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.684 1.994 . . . . 0.0 112.656 173.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -144.04 142.91 30.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.945 1.698 . . . . 0.0 110.585 178.577 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -65.47 152.16 44.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.113 1.765 . . . . 0.0 113.45 -174.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.36 96.51 6.16 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.818 1.647 . . . . 0.0 110.097 176.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.4 m -95.55 -168.91 1.86 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.373 1.469 . . . . 0.0 112.15 176.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.77 137.86 30.71 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 121.301 -0.874 . . . . 0.0 113.348 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m 61.83 -39.89 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.662 2.385 . . . . 0.0 115.86 -167.389 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -61.75 -41.8 98.14 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 120.039 1.291 . . . . 0.0 111.731 176.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 tp -65.5 -36.91 85.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.182 1.393 . . . . 0.0 112.4 175.445 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.73 -47.86 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.453 0.701 . . . . 0.0 110.147 177.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.81 -39.95 95.84 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.277 0.631 . . . . 0.0 112.081 174.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.31 97.78 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.361 0.664 . . . . 0.0 112.324 176.039 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.39 -39.23 91.97 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.356 -0.84 . . . . 0.0 112.334 178.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -66.52 -17.31 64.74 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 173.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -90.52 -43.56 10.15 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.493 1.117 . . . . 0.0 112.4 171.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 63.6 t -75.13 -40.04 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 124.944 1.297 . . . . 0.0 112.529 -174.587 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -86.7 5.3 36.84 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.55 129.46 36.55 Favored Glycine 0 CA--C 1.543 1.805 0 CA-C-N 120.064 1.302 . . . . 0.0 111.118 170.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -111.11 31.49 6.02 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 130.686 3.594 . . . . 0.0 113.851 6.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -62.6 -24.52 67.61 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.609 1.564 . . . . 0.0 113.617 -178.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.23 -3.66 33.26 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.368 1.461 . . . . 0.0 115.228 175.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -56.9 140.75 47.43 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.406 1.082 . . . . 0.0 113.3 -176.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -111.55 -35.97 5.64 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.407 1.483 . . . . 0.0 111.5 166.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.5 m 60.46 69.78 1.1 Allowed Pre-proline 0 N--CA 1.477 0.875 0 C-N-CA 125.942 1.697 . . . . 0.0 111.993 174.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -68.67 -14.37 39.2 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.672 2.915 . . . . 0.0 114.617 -170.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -83.16 5.61 22.12 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.193 1.397 . . . . 0.0 114.739 -179.135 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.485 1.278 0 C-N-CA 128.873 2.869 . . . . 0.0 113.439 -179.516 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 112.299 -0.32 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.27 -37.32 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.448 1.099 . . . . 0.0 112.285 -175.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.56 -33.89 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.168 1.387 . . . . 0.0 113.416 -170.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.99 -2.08 41.22 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 57.94 176.36 0.06 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.352 1.861 . . . . 0.0 113.49 -168.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.5 t -81.97 67.8 8.11 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.257 -1.527 . . . . 0.0 109.866 175.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.86 153.25 25.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.549 1.94 . . . . 0.0 112.579 -171.186 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.304 4.4 t 56.23 -43.83 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 130.098 3.359 . . . . 0.0 116.981 -176.17 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.5 p -109.13 155.35 21.12 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.176 1.791 . . . . 0.0 111.582 167.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.3 mt -93.79 123.0 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 110.709 -175.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -75.66 154.19 36.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.074 1.75 . . . . 0.0 111.699 172.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.2 p -80.83 154.56 27.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.212 -0.93 . . . . 0.0 111.099 165.166 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.06 -30.92 69.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.01 0.924 . . . . 0.0 112.513 -177.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -53.33 -32.9 51.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.645 1.578 . . . . 0.0 113.616 171.258 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -71.5 -26.87 62.86 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.187 -0.946 . . . . 0.0 112.253 -177.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.12 -25.63 67.07 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.347 1.059 . . . . 0.0 112.818 -177.512 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.46 -31.56 69.43 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.525 1.13 . . . . 0.0 113.137 170.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -65.89 -28.16 68.75 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.257 -0.902 . . . . 0.0 112.877 -176.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -68.24 -25.58 65.26 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.099 . . . . 0.0 112.568 173.215 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 t -83.23 -24.29 32.39 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.636 1.174 . . . . 0.0 112.507 178.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.0 p30 . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 125.55 1.54 . . . . 0.0 111.763 177.46 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.8 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.83 106.87 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 125.407 1.483 . . . . 0.0 110.709 179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -132.49 149.47 52.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 128.759 2.824 . . . . 0.0 112.221 -5.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -157.64 -177.96 6.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.997 2.119 . . . . 0.0 110.728 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -71.18 131.11 43.05 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.106 -0.996 . . . . 0.0 109.925 160.194 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -107.53 78.37 1.2 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.22 1.008 . . . . 0.0 108.359 172.022 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -145.05 130.09 18.4 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.182 1.393 . . . . 0.0 110.915 -176.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.13 -32.91 0.53 Allowed Glycine 0 CA--C 1.542 1.72 0 C-N-CA 125.868 1.699 . . . . 0.0 115.684 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -145.13 170.5 16.11 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.044 2.137 . . . . 0.0 110.772 174.096 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 31.6 m80 60.2 -22.5 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.766 2.826 . . . . 0.0 117.081 -176.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.3 tp -52.08 -51.83 55.17 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.624 1.57 . . . . 0.0 112.94 -172.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.6 -48.96 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.235 0.925 . . . . 0.0 112.492 -173.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -67.3 -37.66 83.73 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.222 -0.924 . . . . 0.0 112.065 176.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.36 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 176.225 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 57.8 mt -68.87 -49.45 58.17 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.412 -0.805 . . . . 0.0 111.507 171.444 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -62.84 -40.78 98.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.598 0.759 . . . . 0.0 112.875 -172.323 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.26 -17.03 61.37 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -85.44 -45.16 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.146 0.978 . . . . 0.0 111.412 177.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 t -81.91 -16.6 50.05 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 176.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.22 10.13 66.44 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.433 1.492 . . . . 0.0 115.849 172.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -152.94 150.7 29.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.19 1.396 . . . . 0.0 111.053 178.743 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -83.91 -18.15 38.34 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 176.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.79 38.77 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.033 1.302 . . . . 0.0 113.429 171.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -131.87 156.1 46.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.387 1.475 . . . . 0.0 113.788 -175.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -141.09 144.67 35.04 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.768 1.627 . . . . 0.0 110.328 163.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 17.6 p -136.37 112.34 10.09 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 125.083 1.353 . . . . 0.0 110.506 176.077 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -73.68 150.42 45.02 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.769 2.313 . . . . 0.0 111.422 174.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -150.73 167.34 27.7 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 112.639 -178.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.252 1.232 0 C-N-CA 127.489 2.315 . . . . 0.0 113.318 175.136 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.8 mp -82.13 132.61 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.041 0.936 . . . . 0.0 109.222 176.397 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 m -87.19 179.72 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.553 1.541 . . . . 0.0 112.344 -179.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.01 -20.25 64.14 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -177.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -95.57 151.58 19.2 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.144 1.377 . . . . 0.0 111.966 173.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.9 t -28.82 110.86 0.05 Allowed 'General case' 0 N--CA 1.478 0.961 1 C-N-CA 134.993 5.317 . . . . 0.0 118.547 5.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.0 m -143.75 160.1 41.33 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 127.242 2.217 . . . . 0.0 110.355 174.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.301 3.2 t 57.02 -42.46 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 130.301 3.44 . . . . 0.0 117.307 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.6 m -93.04 153.7 18.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.55 1.54 . . . . 0.0 110.712 163.565 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -95.74 114.07 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.888 0.875 . . . . 0.0 109.207 -179.462 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 p -76.45 146.81 38.32 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.022 1.329 . . . . 0.0 113.106 -178.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -90.48 165.81 13.59 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.082 1.353 . . . . 0.0 111.32 168.186 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.28 -29.64 64.03 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.869 0.868 . . . . 0.0 112.736 177.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -53.45 -37.14 62.34 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.697 1.199 . . . . 0.0 113.171 173.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -73.27 -35.18 66.15 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.529 -0.732 . . . . 0.0 111.469 178.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.6 mt -71.43 -40.91 70.13 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.362 0.665 . . . . 0.0 111.056 175.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.21 -28.32 69.06 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.177 -0.952 . . . . 0.0 112.792 173.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -67.95 -30.52 69.84 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.114 0.87 . . . . 0.0 112.717 173.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -76.61 -33.94 58.4 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.546 -0.721 . . . . 0.0 112.259 170.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 76.8 m -66.44 -37.47 85.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.823 0.849 . . . . 0.0 112.606 173.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 125.869 1.668 . . . . 0.0 110.57 178.18 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 121.548 0.689 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t 64.9 -35.39 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 127.884 2.474 . . . . 0.0 114.399 -167.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.8 -34.5 77.96 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.297 1.439 . . . . 0.0 112.367 165.318 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -154.02 169.04 24.46 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.84 1.656 . . . . 0.0 111.697 -172.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -61.73 153.94 26.93 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.969 1.308 . . . . 0.0 113.409 -177.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.73 20.68 12.81 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.699 1.6 . . . . 0.0 113.079 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.4 t -64.14 151.55 42.98 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.558 1.543 . . . . 0.0 114.48 -170.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.32 -85.29 1.57 Allowed Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.899 1.238 . . . . 0.0 111.702 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 70.0 m -133.64 -13.27 2.6 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 -178.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -63.5 -27.12 69.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.902 1.228 . . . . 0.0 113.123 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -63.41 -26.02 68.55 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 173.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 74.2 t -70.68 -44.19 76.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.387 0.994 . . . . 0.0 110.179 174.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.83 -29.74 70.26 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.382 0.673 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.95 -44.05 56.22 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.329 1.052 . . . . 0.0 112.262 169.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -61.93 -35.93 79.85 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.262 1.025 . . . . 0.0 112.268 -178.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -66.23 -6.08 12.5 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 172.184 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.1 -22.24 10.12 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.619 1.567 . . . . 0.0 113.333 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 81.0 t -78.94 -35.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.445 1.098 . . . . 0.0 110.851 169.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.2 p -141.68 76.93 1.57 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.933 2.093 . . . . 0.0 110.735 165.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.76 -25.79 0.03 OUTLIER Glycine 0 CA--C 1.535 1.329 0 O-C-N 118.366 -2.709 . . . . 0.0 114.809 -0.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -146.28 49.16 1.18 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.592 1.196 . . . . 0.0 111.026 178.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 61.81 -16.43 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 127.49 2.316 . . . . 0.0 116.129 -170.231 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.25 165.5 23.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.997 1.284 . . . . 0.0 111.616 147.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -140.15 160.99 38.72 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.542 1.537 . . . . 0.0 111.91 -176.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -154.61 148.79 25.93 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.959 1.304 . . . . 0.0 111.272 164.682 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -144.05 140.46 17.05 Favored Pre-proline 0 N--CA 1.471 0.595 0 C-N-CA 123.486 0.714 . . . . 0.0 111.324 160.241 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -81.97 11.64 3.06 Favored 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 124.098 3.198 . . . . 0.0 113.594 174.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -48.98 139.03 10.81 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.486 1.368 0 C-N-CA 127.677 2.391 . . . . 0.0 114.901 169.201 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.439 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tp -148.39 147.66 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.651 1.581 . . . . 0.0 110.206 170.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.31 141.19 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.469 1.508 . . . . 0.0 111.002 -177.121 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 51.62 39.96 26.17 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.405 1.482 . . . . 0.0 113.388 -176.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.3 158.58 4.09 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.933 2.093 . . . . 0.0 115.23 -178.592 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.04 -73.18 0.09 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.531 1.532 . . . . 0.0 112.411 179.719 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 t 40.59 -91.31 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.757 2.823 . . . . 0.0 115.93 176.174 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 m -61.99 -25.13 67.46 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.498 1.519 . . . . 0.0 112.855 177.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -105.22 153.59 21.37 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.1 1.76 . . . . 0.0 112.043 175.1 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.94 143.35 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.427 1.091 . . . . 0.0 110.625 177.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 m -132.87 162.73 30.8 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.634 1.574 . . . . 0.0 112.422 177.506 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -144.84 177.6 8.61 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.517 2.327 . . . . 0.0 109.148 173.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -49.43 -41.95 41.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.132 1.373 . . . . 0.0 113.04 -177.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -57.77 -35.78 71.25 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.707 1.203 . . . . 0.0 113.327 176.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -80.54 -38.07 30.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.787 0.835 . . . . 0.0 111.242 176.516 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 mt -66.4 -35.24 79.82 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.453 0.701 . . . . 0.0 112.67 179.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.71 -34.85 54.27 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.687 1.195 . . . . 0.0 112.942 170.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.45 -16.38 62.92 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -78.72 -24.58 44.82 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.11 0.868 . . . . 0.0 113.161 176.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.2 p -114.97 -31.16 6.16 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -176.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.779 0.831 . . . . 0.0 111.619 176.908 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.538 0.685 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.1 t -62.23 -28.53 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.323 1.449 . . . . 0.0 112.642 -177.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 48.76 36.46 7.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.963 2.105 . . . . 0.0 114.721 174.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -141.23 106.78 5.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.282 1.833 . . . . 0.0 108.844 177.408 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 57.6 m80 49.71 50.92 17.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.52 1.528 . . . . 0.0 114.669 167.321 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.08 111.25 1.25 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.532 1.133 . . . . 0.0 111.302 -173.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 t -143.24 151.04 40.12 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.93 1.292 . . . . 0.0 110.961 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.96 -127.37 40.97 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 123.434 0.54 . . . . 0.0 112.297 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.4 m -49.09 -43.77 41.53 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.031 1.333 . . . . 0.0 113.123 177.683 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.98 -21.07 62.35 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -176.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.8 tp -86.77 -47.9 8.7 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.213 0.605 . . . . 0.0 111.543 172.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 m -69.5 -40.81 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.537 0.608 . . . . 0.0 112.291 -175.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.52 -33.16 74.98 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.311 0.96 . . . . 0.0 112.17 175.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.63 -42.43 58.58 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.658 -0.651 . . . . 0.0 111.715 175.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.36 -32.91 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.019 -1.05 . . . . 0.0 112.394 173.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -65.77 -20.98 66.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.468 1.031 . . . . 0.0 113.711 173.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.73 -23.66 13.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.511 1.524 . . . . 0.0 113.047 179.426 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -90.15 -50.28 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.879 1.272 . . . . 0.0 111.783 175.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.3 m -97.59 30.21 3.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.164 1.786 . . . . 0.0 112.028 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.58 -153.93 13.58 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.659 1.123 . . . . 0.0 112.764 -175.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -135.1 -35.23 0.85 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.49 1.116 . . . . 0.0 112.901 173.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -163.1 -47.08 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.436 2.294 . . . . 0.0 109.164 168.276 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.51 178.96 53.42 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.031 0.824 . . . . 0.0 111.854 147.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' DHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -52.29 128.74 26.17 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.66 1.184 . . . . 0.0 111.565 175.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -81.83 -50.49 9.15 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -153.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.6 p 26.31 66.24 0.5 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 127.535 2.334 . . . . 0.0 116.053 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.8 144.11 63.95 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.082 2.521 . . . . 0.0 111.81 -174.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -70.93 134.08 46.94 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.659 0.783 . . . . 0.0 110.649 174.344 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.096 1.758 . . . . 0.0 112.626 -172.796 . . . . . . . . 0 0 . 1 stop_ save_