data_2dci_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 2dci _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.34 -22.87 20.98 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -170.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.73 -43.99 69.55 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.222 1.409 . . . . 0.0 110.753 175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -14.8 36.59 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 114.052 -1.431 . . . . 0.0 114.196 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.42 -16.72 28.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.26 1.53 . . . . 0.0 112.631 173.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.09 -92.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 125.992 1.717 . . . . 0.0 110.777 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 24.38 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.331 3.053 . . . . 0.0 113.344 -167.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.31 -29.99 3.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.693 1.615 . . . . 0.0 115.437 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -67.41 -18.03 64.95 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.495 2.148 . . . . 0.0 113.448 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.463 0.175 0 C-N-CA 126.522 1.929 . . . . 0.0 107.609 -176.562 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.63 -27.52 50.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -167.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.93 -49.46 68.62 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.206 1.002 . . . . 0.0 110.19 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.22 -7.1 23.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.815 1.674 . . . . 0.0 114.402 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.33 -20.15 18.04 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.169 1.485 . . . . 0.0 112.362 170.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.37 -95.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 126.108 1.763 . . . . 0.0 111.329 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.33 -84.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 130.289 3.436 . . . . 0.0 113.895 -168.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.55 -30.4 8.42 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.906 1.241 . . . . 0.0 113.549 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.87 -10.45 13.36 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.15 1.475 . . . . 0.0 114.104 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.449 -0.522 0 C-N-CA 126.242 1.817 . . . . 0.0 107.157 -176.403 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.307 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.12 -25.81 14.46 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.366 1.467 . . . . 0.0 114.494 -172.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -53.92 -49.29 68.98 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.965 1.306 . . . . 0.0 110.763 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.53 -26.22 64.22 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 114.593 -1.185 . . . . 0.0 113.253 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.74 74.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.374 1.087 . . . . 0.0 110.231 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 pt -103.59 -103.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.194 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.157 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.13 -82.19 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 129.981 3.312 . . . . 0.0 114.407 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.3 -35.78 1.25 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.338 1.446 . . . . 0.0 113.095 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -47.94 -56.36 7.79 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.528 1.164 . . . . 0.0 111.895 170.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 CA--C 1.534 0.365 0 C-N-CA 125.74 1.616 . . . . 0.0 109.932 -178.685 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.41 -25.58 36.69 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -48.26 69.66 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.711 1.204 . . . . 0.0 110.301 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.83 -9.71 47.31 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.59 1.567 . . . . 0.0 114.234 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.17 -18.31 23.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.425 1.613 . . . . 0.0 112.048 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.24 -105.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.224 0 C-N-CA 125.193 1.397 . . . . 0.0 110.73 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.86 -77.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 130.905 3.682 . . . . 0.0 115.224 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -27.21 25.91 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.207 0.908 . . . . 0.0 113.174 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -56.86 -30.51 63.91 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 1.201 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.45 -0.466 0 C-N-CA 125.032 1.333 . . . . 0.0 108.241 -179.398 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.98 -23.18 17.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.255 1.422 . . . . 0.0 114.428 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -53.5 -44.29 68.96 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.551 1.54 . . . . 0.0 110.248 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.07 -14.52 46.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.459 1.504 . . . . 0.0 114.232 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.28 -22.6 25.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.404 HG13 ' H ' ' A' ' 7' ' ' ALA . 2.5 pt -116.62 -92.28 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.888 1.675 . . . . 0.0 111.562 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' H ' HG13 ' A' ' 6' ' ' ILE . . . 27.53 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 130.883 3.673 . . . . 0.0 114.257 -167.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.03 -24.2 13.86 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.702 1.137 . . . . 0.0 113.71 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.07 -28.87 66.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.471 1.635 . . . . 0.0 112.559 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 126.038 1.735 . . . . 0.0 107.8 179.11 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.5 -22.8 22.7 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -53.74 -45.1 70.43 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.199 1.4 . . . . 0.0 110.362 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.0 -11.4 51.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.279 1.419 . . . . 0.0 114.226 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.89 -16.76 26.21 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.352 1.576 . . . . 0.0 112.25 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -104.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.185 0 C-N-CA 125.236 1.414 . . . . 0.0 110.705 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.04 -77.35 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.078 3.751 . . . . 0.0 115.3 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.8 -32.87 3.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.176 1.37 . . . . 0.0 112.996 168.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -60.51 -22.99 64.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.452 -0.35 0 C-N-CA 125.281 1.432 . . . . 0.0 108.971 -178.354 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.49 -24.13 29.72 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -46.84 71.02 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.896 1.278 . . . . 0.0 110.245 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.66 -11.63 49.77 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.32 1.438 . . . . 0.0 114.298 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.31 -18.35 24.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.305 1.552 . . . . 0.0 112.213 171.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -104.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.821 1.648 . . . . 0.0 110.425 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.05 -80.18 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 130.629 3.572 . . . . 0.0 114.707 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -29.95 4.22 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.186 1.374 . . . . 0.0 113.465 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.69 -17.29 62.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.57 1.185 . . . . 0.0 113.983 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 CA--C 1.531 0.233 0 C-N-CA 126.033 1.733 . . . . 0.0 108.825 -177.34 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.89 -23.31 30.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.85 -47.5 70.91 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.583 1.153 . . . . 0.0 110.002 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -6.72 30.38 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.817 1.675 . . . . 0.0 114.516 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 -17.36 20.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.336 1.568 . . . . 0.0 112.206 170.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.12 -105.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.877 1.671 . . . . 0.0 110.346 173.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.22 -82.35 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.159 3.383 . . . . 0.0 114.447 -171.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -19.46 10.84 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.865 1.222 . . . . 0.0 114.668 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -66.64 -14.87 62.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.34 1.57 . . . . 0.0 113.421 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 126.43 1.892 . . . . 0.0 108.443 -176.511 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -52.69 -26.77 14.85 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -170.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.68 -46.4 70.65 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 124.899 1.28 . . . . 0.0 110.39 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.96 -10.15 49.98 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 114.398 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.24 -16.19 26.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.435 1.618 . . . . 0.0 112.137 171.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -115.83 -104.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.521 1.529 . . . . 0.0 110.088 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.63 -79.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 130.668 3.587 . . . . 0.0 114.774 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.26 -33.34 7.63 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.87 1.224 . . . . 0.0 113.252 169.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -20.29 25.22 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.559 1.179 . . . . 0.0 113.435 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.448 -0.529 0 C-N-CA 126.025 1.73 . . . . 0.0 108.296 -178.483 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.33 -34.54 47.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.019 1.328 . . . . 0.0 114.456 -170.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.17 70.25 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.909 1.284 . . . . 0.0 110.608 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -11.8 52.67 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.59 1.567 . . . . 0.0 114.324 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.59 25.52 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.477 1.638 . . . . 0.0 112.065 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.17 -105.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 125.825 1.65 . . . . 0.0 110.77 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.75 -79.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 130.66 3.584 . . . . 0.0 114.844 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -30.18 4.34 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.257 1.408 . . . . 0.0 113.572 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -62.61 -26.19 68.48 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.594 1.197 . . . . 0.0 113.537 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 125.295 1.438 . . . . 0.0 108.918 -178.217 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.03 -23.32 19.19 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -45.86 70.67 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 125.099 1.36 . . . . 0.0 110.323 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.76 -11.98 51.69 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.034 -1.439 . . . . 0.0 114.31 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.91 -17.92 25.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.268 1.534 . . . . 0.0 112.187 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.16 -105.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 125.115 1.366 . . . . 0.0 110.313 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.3 -78.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 130.848 3.659 . . . . 0.0 114.937 -170.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.12 -30.64 2.71 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.453 1.501 . . . . 0.0 113.557 168.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -57.39 -41.03 79.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.827 1.251 . . . . 0.0 112.622 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.695 1.198 . . . . 0.0 109.2 -178.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.86 -25.34 41.76 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -53.8 -48.82 69.46 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.522 1.129 . . . . 0.0 110.222 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 -9.23 52.01 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.43 24.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.493 1.646 . . . . 0.0 111.74 169.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.38 -105.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.18 1.392 . . . . 0.0 110.688 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.78 -78.11 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.802 3.641 . . . . 0.0 115.295 -168.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -31.67 5.44 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.582 1.087 . . . . 0.0 112.255 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.36 -34.78 69.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.018 -1.284 . . . . 0.0 113.721 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 124.098 0.959 . . . . 0.0 109.261 179.511 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.78 -22.61 25.23 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -53.62 -45.8 70.25 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.839 1.256 . . . . 0.0 110.183 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.68 -12.99 43.88 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.368 1.461 . . . . 0.0 114.372 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.14 -20.37 25.72 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.358 1.579 . . . . 0.0 112.204 171.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.42 -97.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 126.54 1.936 . . . . 0.0 110.775 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.68 -86.65 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.567 3.147 . . . . 0.0 113.302 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -28.24 10.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.176 1.37 . . . . 0.0 114.817 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -69.27 -10.68 58.96 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.371 2.085 . . . . 0.0 113.366 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.227 -0.122 0 C-N-CA 126.569 1.948 . . . . 0.0 106.965 -178.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -23.92 22.54 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.12 1.368 . . . . 0.0 114.533 -170.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.76 -47.26 70.88 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 125.063 1.345 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.02 -9.43 40.76 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.593 1.568 . . . . 0.0 114.422 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.19 -24.66 24.38 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.449 1.624 . . . . 0.0 112.046 170.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pt -116.51 -96.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 C-N-CA 126.667 1.987 . . . . 0.0 111.314 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.51 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 130.215 3.406 . . . . 0.0 114.324 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.37 -27.57 11.94 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-N 119.901 1.228 . . . . 0.0 113.507 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.33 -12.0 8.02 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.384 -1.657 . . . . 0.0 113.874 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 127.636 2.374 . . . . 0.0 109.275 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.15 -23.25 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -53.73 -44.62 70.06 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.899 1.279 . . . . 0.0 110.79 175.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 -11.69 43.33 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 113.881 -1.509 . . . . 0.0 114.218 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.6 -15.2 27.18 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.216 1.508 . . . . 0.0 112.425 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -102.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 125.354 1.462 . . . . 0.0 110.879 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.9 -77.4 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.705 3.602 . . . . 0.0 115.362 -168.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.55 -28.78 5.17 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.31 1.433 . . . . 0.0 113.633 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.42 -25.09 67.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.346 1.073 . . . . 0.0 113.535 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.542 1.537 . . . . 0.0 108.709 -179.098 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.14 -23.44 47.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -168.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -53.95 -51.17 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 124.041 0.936 . . . . 0.0 109.849 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.75 -5.44 31.3 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.405 1.478 . . . . 0.0 114.35 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.33 -13.08 26.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.414 1.607 . . . . 0.0 112.257 170.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.47 -94.38 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 C-N-CA 126.23 1.812 . . . . 0.0 111.497 168.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.09 -84.98 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 130.235 3.414 . . . . 0.0 113.65 -168.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.41 -35.49 10.24 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.603 1.097 . . . . 0.0 114.045 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -66.43 -12.61 58.03 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.188 1.994 . . . . 0.0 113.496 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 125.751 1.621 . . . . 0.0 107.496 175.173 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.05 -24.8 26.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -170.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.72 -48.17 69.87 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 124.719 1.208 . . . . 0.0 110.15 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.46 -14.32 48.5 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.202 1.382 . . . . 0.0 114.226 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.3 -23.37 26.33 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.167 1.483 . . . . 0.0 112.161 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -94.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 126.009 1.724 . . . . 0.0 110.837 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.76 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 129.991 3.316 . . . . 0.0 113.037 -166.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.25 -26.64 2.37 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.861 1.696 . . . . 0.0 114.976 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.446 1.623 . . . . 0.0 113.208 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 127.813 2.445 . . . . 0.0 107.784 -174.519 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.71 -23.78 30.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.42 70.0 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.652 1.181 . . . . 0.0 110.076 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -9.48 47.51 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.43 1.49 . . . . 0.0 114.36 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.11 -19.93 23.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.536 1.668 . . . . 0.0 111.999 170.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.31 -106.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.294 1.438 . . . . 0.0 110.335 173.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.05 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 130.924 3.69 . . . . 0.0 114.829 -172.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.92 8.02 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.8 1.191 . . . . 0.0 113.559 169.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.01 -22.1 48.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.377 1.589 . . . . 0.0 112.989 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 126.173 1.789 . . . . 0.0 108.646 -175.798 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.41 -24.78 21.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.204 1.402 . . . . 0.0 114.691 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -53.8 -47.14 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.949 1.3 . . . . 0.0 110.115 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.08 -11.43 51.54 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.505 1.526 . . . . 0.0 114.33 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.58 -23.57 25.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.366 1.583 . . . . 0.0 111.85 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.53 -100.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 126.111 1.764 . . . . 0.0 111.341 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.67 -79.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 131.076 3.75 . . . . 0.0 114.898 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.95 -37.63 3.02 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.85 1.214 . . . . 0.0 112.472 167.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.93 -14.54 16.21 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 126.097 1.759 . . . . 0.0 109.127 179.888 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.57 -24.13 30.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -53.83 -45.78 70.95 Favored 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 124.839 1.255 . . . . 0.0 110.449 176.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.78 54.5 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.054 -1.43 . . . . 0.0 114.285 178.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.7 -17.72 26.27 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.35 1.575 . . . . 0.0 112.036 171.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -104.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.233 1.413 . . . . 0.0 110.47 176.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.94 -76.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.807 3.643 . . . . 0.0 115.466 -170.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.64 -27.8 9.61 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.648 1.118 . . . . 0.0 113.335 170.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -61.98 -24.98 67.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.353 1.061 . . . . 0.0 113.416 173.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 124.844 1.258 . . . . 0.0 108.631 -178.742 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.08 -28.27 38.06 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -169.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.81 -47.96 70.35 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.891 1.276 . . . . 0.0 110.412 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.38 -10.15 46.83 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.681 1.61 . . . . 0.0 114.292 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.92 -23.52 21.56 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.232 1.516 . . . . 0.0 112.109 170.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.58 -103.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 125.944 1.698 . . . . 0.0 111.562 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.87 -81.08 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 130.501 3.521 . . . . 0.0 114.729 -172.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -29.53 9.68 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.641 1.115 . . . . 0.0 113.156 170.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.86 -23.57 63.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.88 1.34 . . . . 0.0 113.303 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 CA--C 1.529 0.158 0 C-N-CA 126.124 1.77 . . . . 0.0 109.082 -176.667 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.71 -23.82 31.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.65 -47.9 69.91 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 124.822 1.249 . . . . 0.0 110.127 176.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.24 -10.61 53.21 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 114.01 -1.45 . . . . 0.0 114.286 178.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.14 -18.83 26.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.488 1.644 . . . . 0.0 111.817 170.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.24 -105.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 125.527 1.531 . . . . 0.0 110.71 175.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.41 -79.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 130.513 3.525 . . . . 0.0 114.851 -169.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.1 -28.96 4.45 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.246 1.403 . . . . 0.0 113.882 170.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.46 -23.18 67.29 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 1.244 . . . . 0.0 113.486 174.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.512 1.525 . . . . 0.0 108.785 -177.352 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.58 -34.17 24.78 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.501 1.52 . . . . 0.0 114.769 -170.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.76 -44.59 70.12 Favored 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 125.487 1.515 . . . . 0.0 110.996 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.57 -15.41 53.27 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 113.803 -1.544 . . . . 0.0 114.221 179.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.47 27.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.312 1.556 . . . . 0.0 112.335 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.29 -99.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.976 1.31 . . . . 0.0 111.058 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.64 -78.46 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 130.81 3.644 . . . . 0.0 115.101 -168.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.09 -29.81 2.37 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.544 1.545 . . . . 0.0 113.524 169.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.74 -44.15 90.43 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.532 1.133 . . . . 0.0 112.706 172.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.456 -0.147 0 C-N-CA 124.052 0.941 . . . . 0.0 109.427 179.858 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.06 -23.82 35.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -53.68 -49.04 68.87 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.514 1.126 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -9.22 44.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.342 1.449 . . . . 0.0 114.418 178.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.89 22.92 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.429 1.614 . . . . 0.0 111.882 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -106.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.876 1.67 . . . . 0.0 110.473 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.13 -82.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 130.164 3.386 . . . . 0.0 114.278 -172.194 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.06 6.24 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.169 1.366 . . . . 0.0 114.127 170.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.55 -22.42 63.62 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.318 1.559 . . . . 0.0 113.253 172.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 126.421 1.888 . . . . 0.0 108.645 -176.57 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.69 -25.0 52.91 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -167.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.71 -48.99 69.05 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 124.549 1.139 . . . . 0.0 110.198 176.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.68 45.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.423 1.487 . . . . 0.0 114.249 178.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.14 -17.84 23.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.336 1.568 . . . . 0.0 112.111 171.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.14 -105.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.33 1.452 . . . . 0.0 110.393 173.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.04 -79.47 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.742 3.617 . . . . 0.0 114.825 -172.201 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 -27.74 14.5 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.653 1.121 . . . . 0.0 113.475 170.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.76 -22.48 58.04 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 113.06 172.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 126.043 1.737 . . . . 0.0 107.705 -177.893 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.1 -26.83 40.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -53.89 -48.76 69.77 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 124.834 1.254 . . . . 0.0 110.054 176.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -9.54 39.51 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.458 1.504 . . . . 0.0 114.379 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.37 -24.51 23.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.355 1.577 . . . . 0.0 112.05 170.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.54 -95.5 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 C-N-CA 126.476 1.91 . . . . 0.0 111.437 178.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.39 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 129.842 3.257 . . . . 0.0 113.321 -167.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.35 -29.94 7.6 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.77 1.176 . . . . 0.0 113.968 174.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.52 -13.6 42.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 120.183 1.992 . . . . 0.0 112.382 176.02 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 127.825 2.45 . . . . 0.0 107.912 178.462 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.7 -23.16 27.11 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -169.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.7 -45.29 70.36 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.711 1.205 . . . . 0.0 110.318 175.001 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.25 -12.66 39.26 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.416 1.484 . . . . 0.0 114.339 178.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.92 24.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.265 1.532 . . . . 0.0 112.459 172.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.2 -98.03 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.218 1.807 . . . . 0.0 110.379 175.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.13 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 130.254 3.422 . . . . 0.0 114.329 -169.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.83 -20.76 14.08 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 120.153 1.342 . . . . 0.0 113.833 173.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.84 -18.83 61.49 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.348 -1.677 . . . . 0.0 112.874 170.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 127.337 2.255 . . . . 0.0 107.756 -178.152 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.95 -25.28 42.83 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -54.0 -48.96 69.89 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.484 1.113 . . . . 0.0 110.215 175.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -7.58 50.82 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.334 1.445 . . . . 0.0 114.295 177.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.0 -17.39 27.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.542 1.671 . . . . 0.0 111.737 169.696 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.06 -106.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 125.353 1.461 . . . . 0.0 110.721 174.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.54 -81.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 130.166 3.387 . . . . 0.0 114.821 -169.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.85 -31.57 5.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.181 1.372 . . . . 0.0 113.83 169.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.42 -17.48 54.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.11 1.455 . . . . 0.0 113.354 174.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 125.98 1.712 . . . . 0.0 108.852 -178.373 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.82 -22.64 25.93 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -169.518 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -53.84 -45.17 70.81 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 124.978 1.311 . . . . 0.0 110.497 175.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.6 -10.4 49.24 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.101 -1.408 . . . . 0.0 114.289 178.193 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.48 -16.22 27.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.313 1.557 . . . . 0.0 112.181 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.06 -104.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 125.44 1.496 . . . . 0.0 110.974 177.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -78.24 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 130.684 3.594 . . . . 0.0 115.561 -169.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.38 -32.45 3.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.457 1.503 . . . . 0.0 113.227 167.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.22 -18.27 60.65 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.198 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 125.119 1.368 . . . . 0.0 108.625 179.749 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.65 -23.93 19.39 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.164 1.386 . . . . 0.0 114.723 -169.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -53.83 -44.2 70.06 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 125.226 1.41 . . . . 0.0 110.552 176.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.17 45.99 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 114.109 -1.405 . . . . 0.0 114.303 177.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.4 -16.61 27.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.403 1.602 . . . . 0.0 112.42 171.801 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -99.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 C-N-CA 125.075 1.35 . . . . 0.0 110.717 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.36 -75.98 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 131.304 3.842 . . . . 0.0 115.539 -170.05 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.41 -31.88 3.62 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.083 1.325 . . . . 0.0 112.989 167.641 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.44 -24.56 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 175.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 125.148 1.379 . . . . 0.0 108.974 179.498 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.35 -25.05 32.7 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -169.256 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.83 -46.05 71.04 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 125.054 1.342 . . . . 0.0 110.378 176.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.84 -11.47 54.38 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.366 1.46 . . . . 0.0 114.281 178.843 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -18.47 28.23 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.391 1.595 . . . . 0.0 111.974 171.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.252 2.5 pt -116.3 -104.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 125.674 1.59 . . . . 0.0 111.196 179.092 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -80.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.374 3.47 . . . . 0.0 114.844 -170.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.41 -29.69 7.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.922 1.249 . . . . 0.0 113.602 171.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.36 -14.02 45.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.518 1.127 . . . . 0.0 113.424 174.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 126.219 1.808 . . . . 0.0 109.123 -178.489 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.34 -22.87 20.98 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -170.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.73 -43.99 69.55 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.222 1.409 . . . . 0.0 110.753 175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -14.8 36.59 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 114.052 -1.431 . . . . 0.0 114.196 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.42 -16.72 28.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.26 1.53 . . . . 0.0 112.631 173.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.09 -92.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 125.992 1.717 . . . . 0.0 110.777 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 24.38 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.331 3.053 . . . . 0.0 113.344 -167.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.31 -29.99 3.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.693 1.615 . . . . 0.0 115.437 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -67.41 -18.03 64.95 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.495 2.148 . . . . 0.0 113.448 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.68 -45.87 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 126.522 1.929 . . . . 0.0 107.609 -176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.82 -18.3 65.24 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.477 1.511 . . . . 0.0 112.011 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -147.41 -59.75 0.27 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.052 0.941 . . . . 0.0 109.543 167.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.94 28.75 0.21 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.702 1.144 . . . . 0.0 112.363 -166.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.41 67.28 1.03 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.899 2.08 . . . . 0.0 111.759 -168.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.37 145.11 14.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.118 163.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 -35.33 4.02 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 125.958 1.742 . . . . 0.0 110.73 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttp -70.93 -34.39 71.46 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.687 1.195 . . . . 0.0 110.667 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.71 -55.72 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 170.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.12 -19.42 56.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.686 1.594 . . . . 0.0 113.157 -159.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.106 0 C-N-CA 125.809 1.671 . . . . 0.0 115.139 -170.495 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.63 -27.52 50.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -167.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.93 -49.46 68.62 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.206 1.002 . . . . 0.0 110.19 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.22 -7.1 23.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.815 1.674 . . . . 0.0 114.402 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.33 -20.15 18.04 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.169 1.485 . . . . 0.0 112.362 170.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.37 -95.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 126.108 1.763 . . . . 0.0 111.329 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.33 -84.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 130.289 3.436 . . . . 0.0 113.895 -168.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.55 -30.4 8.42 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.906 1.241 . . . . 0.0 113.549 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.87 -10.45 13.36 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.15 1.475 . . . . 0.0 114.104 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mt -123.92 -54.89 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.242 1.817 . . . . 0.0 107.157 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.67 -15.25 57.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.476 1.91 . . . . 0.0 112.39 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -139.0 -33.72 0.63 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.237 1.015 . . . . 0.0 111.591 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.84 -64.66 4.2 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 124.924 1.25 . . . . 0.0 111.204 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.98 61.21 0.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.556 1.143 . . . . 0.0 109.713 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.79 137.36 58.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 122.02 0.914 . . . . 0.0 111.489 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.61 -18.98 3.38 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 126.009 1.766 . . . . 0.0 113.018 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -34.04 59.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.728 1.611 . . . . 0.0 111.752 168.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 mm -55.61 -54.39 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.887 1.275 . . . . 0.0 109.198 -175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -137.76 97.34 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 126.895 2.078 . . . . 0.0 106.38 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.613 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 176.632 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.307 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.12 -25.81 14.46 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.366 1.467 . . . . 0.0 114.494 -172.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -53.92 -49.29 68.98 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.965 1.306 . . . . 0.0 110.763 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.53 -26.22 64.22 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 114.593 -1.185 . . . . 0.0 113.253 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.74 74.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.374 1.087 . . . . 0.0 110.231 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 pt -103.59 -103.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.194 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.157 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.13 -82.19 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 129.981 3.312 . . . . 0.0 114.407 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.3 -35.78 1.25 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.338 1.446 . . . . 0.0 113.095 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -47.94 -56.36 7.79 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.528 1.164 . . . . 0.0 111.895 170.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.31 -32.2 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.74 1.616 . . . . 0.0 109.932 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -69.72 -0.03 6.34 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.158 0.983 . . . . 0.0 112.333 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 69.63 29.47 4.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.966 2.506 . . . . 0.0 108.378 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.92 -1.89 82.52 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 129.359 3.361 . . . . 0.0 113.409 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 96.49 76.54 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 131.291 3.836 . . . . 0.0 107.485 -162.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.1 138.24 20.33 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.41 0.624 . . . . 0.0 110.679 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.73 -38.66 3.07 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 126.371 1.939 . . . . 0.0 110.846 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 ttp -75.45 -34.24 60.94 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 124.924 1.29 . . . . 0.0 109.871 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.74 -50.51 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.91 -21.1 64.46 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.445 1.898 . . . . 0.0 111.786 -176.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.204 0 C-N-CA 125.647 1.594 . . . . 0.0 113.903 173.074 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.41 -25.58 36.69 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -48.26 69.66 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.711 1.204 . . . . 0.0 110.301 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.83 -9.71 47.31 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.59 1.567 . . . . 0.0 114.234 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.17 -18.31 23.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.425 1.613 . . . . 0.0 112.048 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.24 -105.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.224 0 C-N-CA 125.193 1.397 . . . . 0.0 110.73 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.86 -77.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 130.905 3.682 . . . . 0.0 115.224 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -27.21 25.91 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.207 0.908 . . . . 0.0 113.174 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -56.86 -30.51 63.91 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 1.201 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.76 -50.4 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 125.032 1.333 . . . . 0.0 108.241 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.24 -9.94 55.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.033 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -156.46 -37.61 0.08 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.396 1.078 . . . . 0.0 113.083 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.22 32.12 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.603 -1.109 . . . . 0.0 111.498 -158.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 95.28 108.57 0.02 OUTLIER 'General case' 0 C--N 1.347 0.488 0 C-N-CA 131.644 3.978 . . . . 0.0 109.35 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -60.98 140.28 57.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.019 1.328 . . . . 0.0 110.674 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.98 -25.96 1.79 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.823 1.678 . . . . 0.0 112.315 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.2 -33.79 73.89 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.001 2.12 . . . . 0.0 110.678 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.04 -63.26 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 123.925 0.89 . . . . 0.0 108.684 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -163.07 165.82 24.3 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.766 2.427 . . . . 0.0 107.541 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 C-N-CA 125.473 1.511 . . . . 0.0 112.506 174.57 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.98 -23.18 17.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.255 1.422 . . . . 0.0 114.428 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -53.5 -44.29 68.96 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.551 1.54 . . . . 0.0 110.248 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.07 -14.52 46.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.459 1.504 . . . . 0.0 114.232 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.28 -22.6 25.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.404 HG13 ' H ' ' A' ' 7' ' ' ALA . 2.5 pt -116.62 -92.28 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.888 1.675 . . . . 0.0 111.562 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' H ' HG13 ' A' ' 6' ' ' ILE . . . 27.53 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 130.883 3.673 . . . . 0.0 114.257 -167.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.03 -24.2 13.86 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.702 1.137 . . . . 0.0 113.71 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.07 -28.87 66.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.471 1.635 . . . . 0.0 112.559 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.28 -61.26 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 126.038 1.735 . . . . 0.0 107.8 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.68 -15.27 27.08 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.307 1.843 . . . . 0.0 112.537 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.11 9.25 2.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.425 0.69 . . . . 0.0 111.184 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.35 20.57 37.35 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-O 118.598 -1.112 . . . . 0.0 113.906 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 67.35 112.44 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 128.767 2.827 . . . . 0.0 112.088 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.29 142.05 49.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.702 0.763 . . . . 0.0 110.818 174.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.78 -32.16 2.44 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 126.376 1.941 . . . . 0.0 111.097 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -33.95 77.0 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.161 1.784 . . . . 0.0 110.267 175.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.0 mm -56.52 -32.5 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.102 1.361 . . . . 0.0 111.369 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -102.22 1.49 35.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.408 1.883 . . . . 0.0 112.166 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.794 0 C-N-CA 125.15 1.357 . . . . 0.0 111.371 -175.145 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.5 -22.8 22.7 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -53.74 -45.1 70.43 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.199 1.4 . . . . 0.0 110.362 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.0 -11.4 51.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.279 1.419 . . . . 0.0 114.226 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.89 -16.76 26.21 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.352 1.576 . . . . 0.0 112.25 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -104.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.185 0 C-N-CA 125.236 1.414 . . . . 0.0 110.705 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.04 -77.35 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.078 3.751 . . . . 0.0 115.3 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.8 -32.87 3.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.176 1.37 . . . . 0.0 112.996 168.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -60.51 -22.99 64.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.57 -35.67 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.281 1.432 . . . . 0.0 108.971 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -66.05 -24.97 66.84 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.804 -0.617 . . . . 0.0 111.675 174.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.47 -41.19 0.09 Allowed 'General case' 0 C--N 1.346 0.424 0 CA-C-N 119.214 0.915 . . . . 0.0 113.051 172.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.31 -84.01 0.37 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -169.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.58 93.22 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.859 1.264 . . . . 0.0 108.405 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -74.57 161.93 29.25 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 164.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.55 -27.78 1.83 Allowed Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.034 1.302 . . . . 0.0 112.046 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.407 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.9 ttp -66.41 -34.13 77.26 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 127.506 2.322 . . . . 0.0 111.709 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 18' ' ' ILE . 3.9 mp -65.72 -47.33 86.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.034 1.334 . . . . 0.0 108.154 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.19 -47.25 45.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.006 2.122 . . . . 0.0 110.488 -171.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.814 0 C-N-CA 125.655 1.597 . . . . 0.0 110.607 -174.624 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.49 -24.13 29.72 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -46.84 71.02 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.896 1.278 . . . . 0.0 110.245 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.66 -11.63 49.77 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.32 1.438 . . . . 0.0 114.298 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.31 -18.35 24.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.305 1.552 . . . . 0.0 112.213 171.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -104.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.821 1.648 . . . . 0.0 110.425 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.05 -80.18 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 130.629 3.572 . . . . 0.0 114.707 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -29.95 4.22 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.186 1.374 . . . . 0.0 113.465 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.69 -17.29 62.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.57 1.185 . . . . 0.0 113.983 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.54 -39.86 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 126.033 1.733 . . . . 0.0 108.825 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.02 -19.35 64.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.157 1.383 . . . . 0.0 111.585 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -139.47 -61.86 0.54 Allowed 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.767 1.227 . . . . 0.0 109.621 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.76 -76.39 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -161.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.45 20.39 0.1 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.99 124.34 2.64 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.559 1.527 . . . . 0.0 113.521 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.61 -48.97 0.88 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 127.458 2.456 . . . . 0.0 110.091 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -33.85 71.21 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.538 1.535 . . . . 0.0 110.955 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -69.49 -51.59 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.56 -38.57 89.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.085 2.154 . . . . 0.0 111.658 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.195 0 C-N-CA 126.082 1.801 . . . . 0.0 114.906 169.555 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.89 -23.31 30.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.85 -47.5 70.91 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.583 1.153 . . . . 0.0 110.002 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -6.72 30.38 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.817 1.675 . . . . 0.0 114.516 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 -17.36 20.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.336 1.568 . . . . 0.0 112.206 170.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.12 -105.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.877 1.671 . . . . 0.0 110.346 173.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.22 -82.35 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.159 3.383 . . . . 0.0 114.447 -171.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -19.46 10.84 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.865 1.222 . . . . 0.0 114.668 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -66.64 -14.87 62.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.34 1.57 . . . . 0.0 113.421 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.71 -46.05 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 126.43 1.892 . . . . 0.0 108.443 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.07 -7.08 43.97 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.192 1.797 . . . . 0.0 111.937 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.54 -51.07 0.25 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.766 1.226 . . . . 0.0 110.381 168.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.11 23.45 5.8 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 117.919 -1.489 . . . . 0.0 112.311 -164.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 96.09 105.18 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 130.592 3.557 . . . . 0.0 108.207 -166.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 17' ' ' MET . 1.4 mp0 -68.61 137.22 54.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.044 0.938 . . . . 0.0 112.505 -162.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.63 -28.68 1.28 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.08 1.8 . . . . 0.0 111.662 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.462 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.4 ttm -59.18 -33.42 70.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.332 3.053 . . . . 0.0 110.36 170.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.9 mm -52.42 -35.24 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.32 1.448 . . . . 0.0 111.326 171.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 55.51 -148.39 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.951 2.1 . . . . 0.0 110.866 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 C-N-CA 125.456 1.503 . . . . 0.0 111.613 -164.688 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -52.69 -26.77 14.85 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -170.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.68 -46.4 70.65 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 124.899 1.28 . . . . 0.0 110.39 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.96 -10.15 49.98 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 114.398 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.24 -16.19 26.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.435 1.618 . . . . 0.0 112.137 171.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -115.83 -104.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.521 1.529 . . . . 0.0 110.088 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.63 -79.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 130.668 3.587 . . . . 0.0 114.774 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.26 -33.34 7.63 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.87 1.224 . . . . 0.0 113.252 169.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -20.29 25.22 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.559 1.179 . . . . 0.0 113.435 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.14 -48.15 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.025 1.73 . . . . 0.0 108.296 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.41 -17.49 59.36 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.294 1.038 . . . . 0.0 112.578 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.42 24.42 5.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.399 1.879 . . . . 0.0 109.705 171.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.56 30.65 0.36 Allowed Glycine 0 CA--C 1.533 1.157 0 C-N-CA 127.201 2.334 . . . . 0.0 116.508 -169.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.6 65.25 1.49 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 164.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 147.53 46.61 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.252 -168.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 -40.45 2.44 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 125.399 1.476 . . . . 0.0 110.185 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.99 -33.61 70.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.424 1.49 . . . . 0.0 111.708 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 mp -53.05 -30.39 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 127.234 2.214 . . . . 0.0 111.155 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 50.92 -93.69 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.086 2.154 . . . . 0.0 112.56 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.846 0 C-N-CA 125.654 1.597 . . . . 0.0 112.003 -177.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.33 -34.54 47.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.019 1.328 . . . . 0.0 114.456 -170.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.17 70.25 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.909 1.284 . . . . 0.0 110.608 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -11.8 52.67 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.59 1.567 . . . . 0.0 114.324 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.59 25.52 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.477 1.638 . . . . 0.0 112.065 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.17 -105.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 125.825 1.65 . . . . 0.0 110.77 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.75 -79.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 130.66 3.584 . . . . 0.0 114.844 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -30.18 4.34 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.257 1.408 . . . . 0.0 113.572 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -62.61 -26.19 68.48 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.594 1.197 . . . . 0.0 113.537 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.28 -37.49 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.295 1.438 . . . . 0.0 108.918 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.32 -22.87 65.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.3 0.64 . . . . 0.0 111.616 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -148.46 -59.52 0.24 Allowed 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.569 1.148 . . . . 0.0 110.35 174.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.92 -70.96 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -162.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.57 5.07 0.2 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.74 1.755 . . . . 0.0 115.74 -168.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 142.47 36.7 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.897 1.681 . . . . 0.0 112.845 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.58 -41.67 2.34 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 125.938 1.733 . . . . 0.0 109.999 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -33.4 71.29 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.034 1.734 . . . . 0.0 111.836 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 mp -52.87 -30.82 16.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 126.174 1.789 . . . . 0.0 111.324 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.81 69.34 0.58 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.529 1.932 . . . . 0.0 111.728 -166.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.792 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 174.109 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.03 -23.32 19.19 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -45.86 70.67 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 125.099 1.36 . . . . 0.0 110.323 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.76 -11.98 51.69 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.034 -1.439 . . . . 0.0 114.31 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.91 -17.92 25.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.268 1.534 . . . . 0.0 112.187 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.16 -105.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 125.115 1.366 . . . . 0.0 110.313 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.3 -78.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 130.848 3.659 . . . . 0.0 114.937 -170.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.12 -30.64 2.71 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.453 1.501 . . . . 0.0 113.557 168.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -57.39 -41.03 79.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.827 1.251 . . . . 0.0 112.622 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -86.41 -39.24 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.695 1.198 . . . . 0.0 109.2 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.03 -22.71 66.45 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.202 0.601 . . . . 0.0 111.565 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.97 -55.57 0.04 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.575 0.75 . . . . 0.0 112.744 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.3 -18.41 0.06 OUTLIER Glycine 0 CA--C 1.534 1.233 0 C-N-CA 126.913 2.197 . . . . 0.0 116.926 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.74 35.41 1.99 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.112 1.456 . . . . 0.0 111.204 -169.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -52.93 133.67 37.84 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.623 -0.673 . . . . 0.0 109.216 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.39 -37.31 3.57 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 126.286 1.898 . . . . 0.0 110.797 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ttp -73.08 -35.13 66.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 125.235 1.414 . . . . 0.0 110.254 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.98 -48.31 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.04 -28.96 22.29 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.058 1.343 . . . . 0.0 112.098 -161.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.858 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.108 -164.66 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.86 -25.34 41.76 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -53.8 -48.82 69.46 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.522 1.129 . . . . 0.0 110.222 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 -9.23 52.01 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.43 24.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.493 1.646 . . . . 0.0 111.74 169.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.38 -105.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.18 1.392 . . . . 0.0 110.688 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.78 -78.11 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.802 3.641 . . . . 0.0 115.295 -168.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -31.67 5.44 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.582 1.087 . . . . 0.0 112.255 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.36 -34.78 69.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.018 -1.284 . . . . 0.0 113.721 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.04 -36.11 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 124.098 0.959 . . . . 0.0 109.261 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.9 -26.87 68.5 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.426 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -164.33 -34.05 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.98 -1.49 3.48 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 118.063 -1.409 . . . . 0.0 113.655 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 88.52 101.7 0.03 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.208 3.403 . . . . 0.0 107.809 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 171.46 5.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.551 1.167 . . . . 0.0 110.152 164.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.49 -37.12 2.76 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 126.455 1.978 . . . . 0.0 110.188 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.21 -36.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.981 1.712 . . . . 0.0 111.202 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.33 -45.43 14.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.846 1.258 . . . . 0.0 108.567 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.15 -11.38 57.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.805 1.642 . . . . 0.0 113.182 -159.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 C-N-CA 124.743 1.163 . . . . 0.0 111.325 178.772 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.78 -22.61 25.23 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -53.62 -45.8 70.25 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.839 1.256 . . . . 0.0 110.183 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.68 -12.99 43.88 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.368 1.461 . . . . 0.0 114.372 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.14 -20.37 25.72 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.358 1.579 . . . . 0.0 112.204 171.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.42 -97.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 126.54 1.936 . . . . 0.0 110.775 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.68 -86.65 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.567 3.147 . . . . 0.0 113.302 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -28.24 10.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.176 1.37 . . . . 0.0 114.817 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -69.27 -10.68 58.96 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.371 2.085 . . . . 0.0 113.366 174.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp -118.14 -57.04 3.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 126.569 1.948 . . . . 0.0 106.965 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.03 -9.5 39.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.229 2.212 . . . . 0.0 112.259 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.43 -7.87 0.52 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.679 1.192 . . . . 0.0 113.105 174.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.47 -53.85 2.8 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 120.241 1.382 . . . . 0.0 111.449 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.27 96.53 2.42 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.617 1.567 . . . . 0.0 107.336 169.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.9 pp20? -62.21 145.41 53.63 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.64 0.734 . . . . 0.0 111.776 -175.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.03 -36.83 2.35 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 126.887 2.184 . . . . 0.0 110.694 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.8 ttp -61.11 -33.65 73.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.887 2.475 . . . . 0.0 111.558 178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mm -61.68 -33.19 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.915 1.686 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 43.66 -105.65 0.08 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.692 2.397 . . . . 0.0 110.751 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 CA-C-N 119.925 1.239 . . . . 0.0 111.169 173.278 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -23.92 22.54 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.12 1.368 . . . . 0.0 114.533 -170.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.76 -47.26 70.88 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 125.063 1.345 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.02 -9.43 40.76 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.593 1.568 . . . . 0.0 114.422 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.19 -24.66 24.38 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.449 1.624 . . . . 0.0 112.046 170.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pt -116.51 -96.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 C-N-CA 126.667 1.987 . . . . 0.0 111.314 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.51 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 130.215 3.406 . . . . 0.0 114.324 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.37 -27.57 11.94 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-N 119.901 1.228 . . . . 0.0 113.507 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.33 -12.0 8.02 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.384 -1.657 . . . . 0.0 113.874 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -125.09 -48.6 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 127.636 2.374 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.56 -14.08 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.329 1.852 . . . . 0.0 112.115 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -113.36 -46.71 3.05 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 159.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.54 113.25 3.8 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 106.949 -2.46 . . . . 0.0 106.949 -170.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 31.23 64.29 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.268 2.627 . . . . 0.0 112.867 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.89 153.01 43.16 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.169 0.985 . . . . 0.0 111.798 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.58 -46.17 3.61 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.681 2.086 . . . . 0.0 109.347 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 ttp -52.32 -33.31 41.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 129.241 3.016 . . . . 0.0 112.798 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 mp -42.88 -36.08 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.841 2.057 . . . . 0.0 111.569 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -127.67 156.07 42.93 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.037 0.835 . . . . 0.0 110.923 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.184 0 C-N-CA 125.661 1.601 . . . . 0.0 112.192 169.824 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.15 -23.25 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -53.73 -44.62 70.06 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.899 1.279 . . . . 0.0 110.79 175.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 -11.69 43.33 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 113.881 -1.509 . . . . 0.0 114.218 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.6 -15.2 27.18 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.216 1.508 . . . . 0.0 112.425 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -102.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 125.354 1.462 . . . . 0.0 110.879 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.9 -77.4 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.705 3.602 . . . . 0.0 115.362 -168.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.55 -28.78 5.17 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.31 1.433 . . . . 0.0 113.633 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.42 -25.09 67.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.346 1.073 . . . . 0.0 113.535 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.81 -38.9 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 125.542 1.537 . . . . 0.0 108.709 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.42 -19.7 65.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.134 0.574 . . . . 0.0 111.828 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -150.81 -56.89 0.16 Allowed 'General case' 0 C--N 1.342 0.248 0 C-N-CA 124.326 1.05 . . . . 0.0 111.066 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.98 -71.83 0.49 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -163.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.11 84.51 0.44 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.795 1.238 . . . . 0.0 108.676 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -74.07 168.36 19.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 122.281 1.039 . . . . 0.0 112.224 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 -39.22 3.03 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 127.305 2.383 . . . . 0.0 109.732 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 ttm -58.47 -34.05 70.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.138 2.175 . . . . 0.0 111.47 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -51.67 -40.39 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.173 1.389 . . . . 0.0 110.244 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -81.0 65.61 6.2 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 122.232 1.015 . . . . 0.0 110.377 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 C-N-CA 124.807 1.194 . . . . 0.0 112.463 176.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.14 -23.44 47.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -168.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -53.95 -51.17 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 124.041 0.936 . . . . 0.0 109.849 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.75 -5.44 31.3 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.405 1.478 . . . . 0.0 114.35 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.33 -13.08 26.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.414 1.607 . . . . 0.0 112.257 170.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.47 -94.38 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 C-N-CA 126.23 1.812 . . . . 0.0 111.497 168.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.09 -84.98 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 130.235 3.414 . . . . 0.0 113.65 -168.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.41 -35.49 10.24 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.603 1.097 . . . . 0.0 114.045 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -66.43 -12.61 58.03 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.188 1.994 . . . . 0.0 113.496 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -105.97 -54.92 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.751 1.621 . . . . 0.0 107.496 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.27 -11.87 35.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.949 1.299 . . . . 0.0 113.469 -174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.03 -27.88 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.93 -69.15 2.95 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -172.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 56.52 1.4 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.808 1.643 . . . . 0.0 110.227 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.8 pp20? -74.83 161.03 29.94 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.822 0.82 . . . . 0.0 111.929 -178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 -43.2 2.78 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 127.347 2.403 . . . . 0.0 109.277 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.462 ' H ' ' C ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -50.92 -33.43 24.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 130.67 3.588 . . . . 0.0 112.365 -177.118 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 18' ' ' ILE . 5.1 mp -41.36 -37.13 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.046 2.139 . . . . 0.0 112.072 169.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -117.94 148.52 42.1 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.464 1.029 . . . . 0.0 110.56 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 C-N-CA 128.078 2.751 . . . . 0.0 115.173 -174.018 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.72 -48.69 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -72.36 -8.67 56.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.191 1.797 . . . . 0.0 112.077 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.85 -18.65 0.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.9 1.28 . . . . 0.0 112.797 169.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.74 -64.55 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.18 65.97 1.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.304 1.041 . . . . 0.0 110.379 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.6 160.34 22.76 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 162.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 -31.16 3.75 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.039 1.304 . . . . 0.0 111.308 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttp -68.07 -37.24 81.03 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.212 2.205 . . . . 0.0 111.404 176.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.56 -43.37 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 14.3 0.14 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.243 3.017 . . . . 0.0 114.025 -164.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 126.442 1.972 . . . . 0.0 112.444 175.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.05 -24.8 26.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -170.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.72 -48.17 69.87 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 124.719 1.208 . . . . 0.0 110.15 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.46 -14.32 48.5 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.202 1.382 . . . . 0.0 114.226 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.3 -23.37 26.33 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.167 1.483 . . . . 0.0 112.161 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -94.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 126.009 1.724 . . . . 0.0 110.837 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.76 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 129.991 3.316 . . . . 0.0 113.037 -166.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.25 -26.64 2.37 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.861 1.696 . . . . 0.0 114.976 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.446 1.623 . . . . 0.0 113.208 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 mt -101.47 -54.86 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 127.813 2.445 . . . . 0.0 107.784 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.28 -6.45 29.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.32 2.248 . . . . 0.0 112.498 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.17 -55.4 0.44 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.326 0.966 . . . . 0.0 111.267 170.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 92.99 0.56 Allowed Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.04 -53.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.236 2.614 . . . . 0.0 115.301 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 17' ' ' MET . 84.1 mt-10 52.51 147.35 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 130.88 3.672 . . . . 0.0 114.557 -164.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.68 2.04 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 127.732 2.587 . . . . 0.0 110.482 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.419 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.7 ttp -58.93 -35.99 74.01 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 129.494 3.117 . . . . 0.0 111.423 176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 mm -91.35 -47.06 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.655 1.182 . . . . 0.0 108.096 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.17 -13.95 59.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.913 2.085 . . . . 0.0 113.49 -159.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -170.489 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.71 -23.78 30.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.42 70.0 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.652 1.181 . . . . 0.0 110.076 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -9.48 47.51 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.43 1.49 . . . . 0.0 114.36 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.11 -19.93 23.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.536 1.668 . . . . 0.0 111.999 170.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.31 -106.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.294 1.438 . . . . 0.0 110.335 173.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.05 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 130.924 3.69 . . . . 0.0 114.829 -172.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.92 8.02 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.8 1.191 . . . . 0.0 113.559 169.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.01 -22.1 48.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.377 1.589 . . . . 0.0 112.989 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.47 -49.06 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.173 1.789 . . . . 0.0 108.646 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.02 -21.13 65.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.407 1.083 . . . . 0.0 111.639 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.81 56.6 1.78 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.651 1.98 . . . . 0.0 106.098 167.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.88 47.21 0.61 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.31 1.433 . . . . 0.0 112.178 171.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.66 35.01 1.04 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.517 3.527 . . . . 0.0 107.917 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.57 150.83 43.12 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.124 -0.985 . . . . 0.0 109.054 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -32.86 3.99 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.226 0.917 . . . . 0.0 111.457 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.04 -34.0 66.05 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.467 1.907 . . . . 0.0 111.324 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.29 -60.3 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.35 160.37 43.32 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 128.33 2.652 . . . . 0.0 105.681 159.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 C-N-CA 126.336 1.922 . . . . 0.0 113.233 173.102 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.41 -24.78 21.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.204 1.402 . . . . 0.0 114.691 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -53.8 -47.14 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.949 1.3 . . . . 0.0 110.115 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.08 -11.43 51.54 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.505 1.526 . . . . 0.0 114.33 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.58 -23.57 25.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.366 1.583 . . . . 0.0 111.85 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.53 -100.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 126.111 1.764 . . . . 0.0 111.341 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.67 -79.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 131.076 3.75 . . . . 0.0 114.898 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.95 -37.63 3.02 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.85 1.214 . . . . 0.0 112.472 167.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.93 -14.54 16.21 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -118.86 -40.33 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 126.097 1.759 . . . . 0.0 109.127 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.46 -19.71 65.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.943 0.897 . . . . 0.0 111.977 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -141.67 -52.38 0.43 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.513 1.125 . . . . 0.0 110.057 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.96 -23.1 0.31 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.133 1.825 . . . . 0.0 115.792 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.98 -3.17 34.12 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.94 1.37 . . . . 0.0 113.417 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -59.55 134.29 56.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.635 1.561 . . . . 0.0 110.985 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.84 -24.47 2.77 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.315 1.436 . . . . 0.0 112.271 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -70.57 -33.96 71.67 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.321 1.849 . . . . 0.0 111.645 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.42 -58.89 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 128.237 2.615 . . . . 0.0 111.926 -170.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -140.46 169.08 18.32 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.742 1.617 . . . . 0.0 110.001 -172.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 125.151 1.358 . . . . 0.0 112.024 -168.548 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.72 -48.69 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -72.36 -8.67 56.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.191 1.797 . . . . 0.0 112.077 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.85 -18.65 0.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.9 1.28 . . . . 0.0 112.797 169.45 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.74 -64.55 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.18 65.97 1.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.304 1.041 . . . . 0.0 110.379 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.6 160.34 22.76 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 162.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 -31.16 3.75 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.039 1.304 . . . . 0.0 111.308 -176.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttp -68.07 -37.24 81.03 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.212 2.205 . . . . 0.0 111.404 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.56 -43.37 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 14.3 0.14 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.243 3.017 . . . . 0.0 114.025 -164.003 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 126.442 1.972 . . . . 0.0 112.444 175.844 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.57 -24.13 30.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -53.83 -45.78 70.95 Favored 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 124.839 1.255 . . . . 0.0 110.449 176.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.78 54.5 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.054 -1.43 . . . . 0.0 114.285 178.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.7 -17.72 26.27 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.35 1.575 . . . . 0.0 112.036 171.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -104.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.233 1.413 . . . . 0.0 110.47 176.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.94 -76.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.807 3.643 . . . . 0.0 115.466 -170.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.64 -27.8 9.61 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.648 1.118 . . . . 0.0 113.335 170.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -61.98 -24.98 67.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.353 1.061 . . . . 0.0 113.416 173.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.89 -40.61 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.844 1.258 . . . . 0.0 108.631 -178.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.36 -23.17 67.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.305 0.642 . . . . 0.0 111.554 176.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -147.17 -60.99 0.28 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.351 1.06 . . . . 0.0 110.19 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.67 -72.85 0.47 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -163.008 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.31 12.62 0.35 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -166.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.67 153.99 15.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.903 1.683 . . . . 0.0 113.064 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.68 -40.58 3.03 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 126.484 1.993 . . . . 0.0 109.95 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ttp -57.46 -33.93 68.47 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.123 2.169 . . . . 0.0 111.981 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 mp -58.59 -38.35 70.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.921 1.688 . . . . 0.0 110.928 178.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.14 -69.84 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.639 0.654 . . . . 0.0 110.58 -169.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -171.034 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.08 -28.27 38.06 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -169.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.81 -47.96 70.35 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.891 1.276 . . . . 0.0 110.412 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.38 -10.15 46.83 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.681 1.61 . . . . 0.0 114.292 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.92 -23.52 21.56 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.232 1.516 . . . . 0.0 112.109 170.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.58 -103.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 125.944 1.698 . . . . 0.0 111.562 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.87 -81.08 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 130.501 3.521 . . . . 0.0 114.729 -172.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -29.53 9.68 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.641 1.115 . . . . 0.0 113.156 170.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.86 -23.57 63.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.88 1.34 . . . . 0.0 113.303 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.43 -44.29 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 126.124 1.77 . . . . 0.0 109.082 -176.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.59 -14.43 62.84 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.262 1.025 . . . . 0.0 111.932 178.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -141.29 -62.92 0.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.602 1.161 . . . . 0.0 111.606 176.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.64 3.95 51.06 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.2 38.42 3.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.969 1.708 . . . . 0.0 109.036 177.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.04 151.11 45.9 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.162 0.985 . . . . 0.0 111.547 -164.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.02 -38.9 3.14 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 126.079 1.799 . . . . 0.0 110.438 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.44 63.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.459 2.304 . . . . 0.0 111.766 177.338 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -49.0 -32.0 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 127.245 2.218 . . . . 0.0 111.771 175.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.17 -144.06 0.7 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.971 0.908 . . . . 0.0 109.377 -168.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.301 0 C-N-CA 125.724 1.631 . . . . 0.0 113.676 178.184 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.71 -23.82 31.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.65 -47.9 69.91 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 124.822 1.249 . . . . 0.0 110.127 176.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.24 -10.61 53.21 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 114.01 -1.45 . . . . 0.0 114.286 178.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.14 -18.83 26.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.488 1.644 . . . . 0.0 111.817 170.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.24 -105.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 125.527 1.531 . . . . 0.0 110.71 175.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.41 -79.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 130.513 3.525 . . . . 0.0 114.851 -169.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.1 -28.96 4.45 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.246 1.403 . . . . 0.0 113.882 170.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.46 -23.18 67.29 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 1.244 . . . . 0.0 113.486 174.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.3 -36.66 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.512 1.525 . . . . 0.0 108.785 -177.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.64 -22.3 65.33 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.181 0.592 . . . . 0.0 111.661 174.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -147.01 -61.0 0.29 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.458 1.103 . . . . 0.0 110.108 172.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.72 -67.94 0.56 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.358 0.98 . . . . 0.0 110.682 -163.022 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.77 -1.6 0.17 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -167.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.81 142.98 22.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.035 1.743 . . . . 0.0 112.539 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.46 -35.38 4.75 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 126.252 1.882 . . . . 0.0 111.219 -175.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -39.33 71.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 117.505 0.652 . . . . 0.0 110.303 175.396 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.96 -46.32 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.76 7.19 0.27 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.443 3.497 . . . . 0.0 113.71 -171.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 C-N-CA 124.524 1.059 . . . . 0.0 112.997 176.798 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.58 -34.17 24.78 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.501 1.52 . . . . 0.0 114.769 -170.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.76 -44.59 70.12 Favored 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 125.487 1.515 . . . . 0.0 110.996 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.57 -15.41 53.27 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 113.803 -1.544 . . . . 0.0 114.221 179.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.47 27.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.312 1.556 . . . . 0.0 112.335 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.29 -99.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.976 1.31 . . . . 0.0 111.058 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.64 -78.46 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 130.81 3.644 . . . . 0.0 115.101 -168.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.09 -29.81 2.37 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.544 1.545 . . . . 0.0 113.524 169.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.74 -44.15 90.43 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.532 1.133 . . . . 0.0 112.706 172.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.77 -34.71 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.052 0.941 . . . . 0.0 109.427 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.26 -30.51 70.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.234 177.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -165.97 -46.27 0.03 OUTLIER 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.056 0.942 . . . . 0.0 111.346 163.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 CA-C-O 118.72 -1.044 . . . . 0.0 113.782 -171.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.22 85.53 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.779 2.432 . . . . 0.0 109.809 -170.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.39 161.96 21.47 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -169.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.79 -36.76 3.4 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 127.328 2.394 . . . . 0.0 109.875 -173.287 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.0 ttp -62.33 -33.84 75.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.928 2.491 . . . . 0.0 111.9 175.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.13 -33.43 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 126.561 1.944 . . . . 0.0 110.853 176.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -71.92 158.0 36.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.694 0.759 . . . . 0.0 112.135 -171.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 C-N-CA 125.088 1.328 . . . . 0.0 110.846 175.52 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.06 -23.82 35.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -53.68 -49.04 68.87 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.514 1.126 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -9.22 44.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.342 1.449 . . . . 0.0 114.418 178.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.89 22.92 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.429 1.614 . . . . 0.0 111.882 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -106.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.876 1.67 . . . . 0.0 110.473 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.13 -82.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 130.164 3.386 . . . . 0.0 114.278 -172.194 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.06 6.24 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.169 1.366 . . . . 0.0 114.127 170.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.55 -22.42 63.62 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.318 1.559 . . . . 0.0 113.253 172.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -113.08 -45.13 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.421 1.888 . . . . 0.0 108.645 -176.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -74.21 -7.14 51.66 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.811 1.644 . . . . 0.0 112.227 -178.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.68 -46.25 0.17 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.604 1.162 . . . . 0.0 111.785 172.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 3.11 13.81 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.373 1.463 . . . . 0.0 112.941 -166.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 95.79 98.8 0.01 OUTLIER 'General case' 0 C--N 1.347 0.48 0 C-N-CA 130.862 3.665 . . . . 0.0 109.504 -173.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.81 149.15 4.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.245 2.218 . . . . 0.0 111.091 -179.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.8 -47.84 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 127.935 2.683 . . . . 0.0 108.148 -169.41 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -33.91 70.9 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 124.511 1.125 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.68 -65.51 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.66 -26.57 50.47 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 128.087 2.555 . . . . 0.0 113.433 -168.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 CA-C-O 118.872 -0.96 . . . . 0.0 113.581 -178.565 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.69 -25.0 52.91 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -167.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.71 -48.99 69.05 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 124.549 1.139 . . . . 0.0 110.198 176.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.68 45.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.423 1.487 . . . . 0.0 114.249 178.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.14 -17.84 23.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.336 1.568 . . . . 0.0 112.111 171.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.14 -105.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.33 1.452 . . . . 0.0 110.393 173.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.04 -79.47 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.742 3.617 . . . . 0.0 114.825 -172.201 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 -27.74 14.5 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.653 1.121 . . . . 0.0 113.475 170.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.76 -22.48 58.04 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 113.06 172.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.82 -55.1 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 126.043 1.737 . . . . 0.0 107.705 -177.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.5 -14.37 28.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.47 1.508 . . . . 0.0 112.257 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.11 34.11 1.54 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.933 1.693 . . . . 0.0 110.32 172.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.32 2.88 1.38 Allowed Glycine 0 CA--C 1.539 1.581 0 O-C-N 121.121 -0.987 . . . . 0.0 115.469 178.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.66 37.37 2.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.788 2.035 . . . . 0.0 109.804 172.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.9 pp20? -58.86 151.25 21.99 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.578 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.01 -38.77 1.78 Allowed Glycine 0 C--N 1.337 0.638 0 C-N-CA 128.429 2.919 . . . . 0.0 110.606 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' H ' ' C ' ' A' ' 15' ' ' GLU . 5.6 ttm -60.32 -33.72 72.79 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.954 2.902 . . . . 0.0 111.458 -177.463 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.51 -42.69 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 124.019 0.928 . . . . 0.0 110.604 -178.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.88 -24.19 2.43 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -159.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.201 0 C-N-CA 125.16 1.362 . . . . 0.0 112.439 -171.057 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.1 -26.83 40.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -53.89 -48.76 69.77 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 124.834 1.254 . . . . 0.0 110.054 176.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -9.54 39.51 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.458 1.504 . . . . 0.0 114.379 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.37 -24.51 23.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.355 1.577 . . . . 0.0 112.05 170.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.54 -95.5 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 C-N-CA 126.476 1.91 . . . . 0.0 111.437 178.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.39 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 129.842 3.257 . . . . 0.0 113.321 -167.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.35 -29.94 7.6 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.77 1.176 . . . . 0.0 113.968 174.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.52 -13.6 42.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 120.183 1.992 . . . . 0.0 112.382 176.02 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 -54.51 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 127.825 2.45 . . . . 0.0 107.912 178.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -69.33 -10.83 59.64 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.08 2.152 . . . . 0.0 112.362 -174.393 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -127.66 -44.85 1.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.692 1.197 . . . . 0.0 109.17 166.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.45 102.5 2.29 Favored Glycine 0 C--N 1.341 0.847 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 171.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.66 -35.74 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 129.808 3.243 . . . . 0.0 116.56 178.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' A' ' 17' ' ' MET . 68.8 mt-10 54.83 169.27 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 130.258 3.423 . . . . 0.0 114.911 178.506 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.01 -45.41 2.76 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 127.89 2.662 . . . . 0.0 109.624 -170.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' H ' ' C ' ' A' ' 15' ' ' GLU . 4.0 ttp -67.66 -33.93 75.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 130.704 3.601 . . . . 0.0 111.977 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.63 -45.62 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.95 1.3 . . . . 0.0 107.526 175.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.21 -28.82 68.39 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.789 2.035 . . . . 0.0 111.793 -173.167 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 C-N-CA 124.553 1.073 . . . . 0.0 110.743 178.023 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.7 -23.16 27.11 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -169.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.7 -45.29 70.36 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.711 1.205 . . . . 0.0 110.318 175.001 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.25 -12.66 39.26 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.416 1.484 . . . . 0.0 114.339 178.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.92 24.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.265 1.532 . . . . 0.0 112.459 172.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.2 -98.03 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.218 1.807 . . . . 0.0 110.379 175.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.13 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 130.254 3.422 . . . . 0.0 114.329 -169.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.83 -20.76 14.08 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 120.153 1.342 . . . . 0.0 113.833 173.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.84 -18.83 61.49 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.348 -1.677 . . . . 0.0 112.874 170.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -118.33 -61.37 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 127.337 2.255 . . . . 0.0 107.756 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.31 -14.43 39.23 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.032 2.133 . . . . 0.0 112.253 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.68 12.97 4.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.914 0.885 . . . . 0.0 110.042 171.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.35 23.36 18.32 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.602 -1.11 . . . . 0.0 114.672 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.68 10.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.409 1.484 . . . . 0.0 113.625 -170.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.04 149.94 14.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.121 0.962 . . . . 0.0 111.23 178.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.29 -39.01 2.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 126.713 2.101 . . . . 0.0 109.893 -173.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -34.13 65.78 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.171 0.988 . . . . 0.0 110.994 177.445 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.58 -71.53 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.23 -19.8 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 127.637 2.375 . . . . 0.0 113.228 -173.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 CA-C-O 118.017 -1.435 . . . . 0.0 114.213 175.92 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.95 -25.28 42.83 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -54.0 -48.96 69.89 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.484 1.113 . . . . 0.0 110.215 175.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -7.58 50.82 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.334 1.445 . . . . 0.0 114.295 177.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.0 -17.39 27.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.542 1.671 . . . . 0.0 111.737 169.696 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.06 -106.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 125.353 1.461 . . . . 0.0 110.721 174.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.54 -81.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 130.166 3.387 . . . . 0.0 114.821 -169.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.85 -31.57 5.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.181 1.372 . . . . 0.0 113.83 169.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.42 -17.48 54.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.11 1.455 . . . . 0.0 113.354 174.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.56 -42.41 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.98 1.712 . . . . 0.0 108.852 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.43 -12.08 60.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.139 0.975 . . . . 0.0 112.375 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.58 -24.35 0.11 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.868 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.81 -63.26 4.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.66 66.55 1.35 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.717 1.207 . . . . 0.0 109.992 -173.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 17' ' ' MET . 11.8 pt-20 -67.09 159.8 28.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 122.244 1.021 . . . . 0.0 112.662 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 -38.48 2.25 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 127.579 2.514 . . . . 0.0 110.42 178.319 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 15' ' ' GLU . 4.9 ttm -56.85 -33.43 66.79 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 130.003 3.321 . . . . 0.0 112.076 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.4 mp -54.47 -37.93 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.321 1.048 . . . . 0.0 110.419 173.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 56.83 166.83 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.175 2.59 . . . . 0.0 113.394 -169.269 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 C-N-CA 126.387 1.946 . . . . 0.0 113.151 177.692 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.82 -22.64 25.93 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -169.518 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -53.84 -45.17 70.81 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 124.978 1.311 . . . . 0.0 110.497 175.536 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.6 -10.4 49.24 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.101 -1.408 . . . . 0.0 114.289 178.193 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.48 -16.22 27.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.313 1.557 . . . . 0.0 112.181 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.06 -104.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 125.44 1.496 . . . . 0.0 110.974 177.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -78.24 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 130.684 3.594 . . . . 0.0 115.561 -169.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.38 -32.45 3.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.457 1.503 . . . . 0.0 113.227 167.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.22 -18.27 60.65 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.198 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.76 -36.77 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.119 1.368 . . . . 0.0 108.625 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.69 -22.27 66.08 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.771 175.385 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -156.89 -19.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 163.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.08 -55.55 4.97 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 119.858 1.208 . . . . 0.0 110.957 -175.034 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.84 92.27 3.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.838 1.655 . . . . 0.0 107.03 175.113 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' H ' ' A' ' 17' ' ' MET . 47.7 mt-10 -73.1 164.87 26.05 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.676 0.751 . . . . 0.0 110.562 173.276 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.75 -36.24 2.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.513 2.006 . . . . 0.0 110.775 -177.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -53.05 -33.59 52.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 129.36 3.064 . . . . 0.0 112.177 177.173 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.442 HD13 ' H ' ' A' ' 18' ' ' ILE . 5.3 mp -47.61 -36.94 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 127.301 2.24 . . . . 0.0 111.623 172.878 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' CG ' ' H ' ' A' ' 20' ' ' GLY . 13.0 t70 56.34 -159.54 0.22 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.921 1.288 . . . . 0.0 110.155 -167.921 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' A' ' 19' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.668 1.128 . . . . 0.0 110.871 160.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.65 -23.93 19.39 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.164 1.386 . . . . 0.0 114.723 -169.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -53.83 -44.2 70.06 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 125.226 1.41 . . . . 0.0 110.552 176.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.17 45.99 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 114.109 -1.405 . . . . 0.0 114.303 177.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.4 -16.61 27.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.403 1.602 . . . . 0.0 112.42 171.801 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -99.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 C-N-CA 125.075 1.35 . . . . 0.0 110.717 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.36 -75.98 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 131.304 3.842 . . . . 0.0 115.539 -170.05 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.41 -31.88 3.62 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.083 1.325 . . . . 0.0 112.989 167.641 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.44 -24.56 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 175.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.02 -37.67 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 125.148 1.379 . . . . 0.0 108.974 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.96 -25.46 67.88 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.615 176.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -157.2 -29.05 0.09 Allowed 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 175.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.52 -63.26 0.35 Allowed Glycine 0 C--N 1.336 0.581 0 N-CA-C 108.656 -1.778 . . . . 0.0 108.656 -168.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.99 99.54 3.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.016 1.326 . . . . 0.0 107.457 170.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.9 pp20? -73.59 157.76 36.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.29 0.636 . . . . 0.0 109.777 170.461 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.78 -34.01 2.57 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.636 1.589 . . . . 0.0 111.419 173.821 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.463 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.3 ttp -65.84 -34.05 77.26 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 129.042 2.937 . . . . 0.0 111.286 178.643 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.34 -59.39 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -157.23 164.68 37.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 128.894 2.878 . . . . 0.0 105.878 162.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 C-N-CA 125.878 1.704 . . . . 0.0 113.905 177.464 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.35 -25.05 32.7 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -169.256 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.83 -46.05 71.04 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 125.054 1.342 . . . . 0.0 110.378 176.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.84 -11.47 54.38 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.366 1.46 . . . . 0.0 114.281 178.843 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -18.47 28.23 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.391 1.595 . . . . 0.0 111.974 171.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.252 2.5 pt -116.3 -104.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 125.674 1.59 . . . . 0.0 111.196 179.092 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -80.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.374 3.47 . . . . 0.0 114.844 -170.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.41 -29.69 7.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.922 1.249 . . . . 0.0 113.602 171.014 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.36 -14.02 45.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.518 1.127 . . . . 0.0 113.424 174.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.05 -39.73 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 126.219 1.808 . . . . 0.0 109.123 -178.489 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.41 -21.97 66.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.707 176.288 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -144.76 -49.0 0.25 Allowed 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.935 0.894 . . . . 0.0 112.166 168.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.04 11.58 25.75 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.188 -1.34 . . . . 0.0 114.356 -174.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 94.1 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 129.875 3.27 . . . . 0.0 108.759 -176.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -62.12 153.06 31.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.77 2.028 . . . . 0.0 111.002 -173.251 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.64 -33.6 4.54 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 126.129 1.823 . . . . 0.0 111.067 -176.658 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.9 ttm -76.04 -34.03 59.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.308 1.443 . . . . 0.0 111.487 171.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.5 mm -75.22 -41.53 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.641 1.176 . . . . 0.0 109.104 -175.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.24 169.59 10.16 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 128.773 2.829 . . . . 0.0 111.848 -171.158 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.567 1.08 . . . . 0.0 111.974 175.807 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.34 -22.87 20.98 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -170.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.73 -43.99 69.55 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.222 1.409 . . . . 0.0 110.753 175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -14.8 36.59 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 114.052 -1.431 . . . . 0.0 114.196 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.42 -16.72 28.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.26 1.53 . . . . 0.0 112.631 173.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HB ' HD13 ' A' ' 10' ' ' ILE . 2.4 pt -116.09 -92.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 125.992 1.717 . . . . 0.0 110.777 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 24.38 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.331 3.053 . . . . 0.0 113.344 -167.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.31 -29.99 3.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.693 1.615 . . . . 0.0 115.437 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -67.41 -18.03 64.95 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.495 2.148 . . . . 0.0 113.448 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 6' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.463 0.175 0 C-N-CA 126.522 1.929 . . . . 0.0 107.609 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.63 -27.52 50.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -167.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.93 -49.46 68.62 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.206 1.002 . . . . 0.0 110.19 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.22 -7.1 23.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.815 1.674 . . . . 0.0 114.402 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.33 -20.15 18.04 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.169 1.485 . . . . 0.0 112.362 170.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.37 -95.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 126.108 1.763 . . . . 0.0 111.329 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.33 -84.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 130.289 3.436 . . . . 0.0 113.895 -168.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.55 -30.4 8.42 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.906 1.241 . . . . 0.0 113.549 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.87 -10.45 13.36 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.15 1.475 . . . . 0.0 114.104 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.449 -0.522 0 C-N-CA 126.242 1.817 . . . . 0.0 107.157 -176.403 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.307 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.12 -25.81 14.46 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.366 1.467 . . . . 0.0 114.494 -172.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -53.92 -49.29 68.98 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.965 1.306 . . . . 0.0 110.763 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.53 -26.22 64.22 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 114.593 -1.185 . . . . 0.0 113.253 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.74 74.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.374 1.087 . . . . 0.0 110.231 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 pt -103.59 -103.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.194 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.157 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.13 -82.19 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 129.981 3.312 . . . . 0.0 114.407 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.3 -35.78 1.25 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.338 1.446 . . . . 0.0 113.095 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -47.94 -56.36 7.79 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.528 1.164 . . . . 0.0 111.895 170.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 CA--C 1.534 0.365 0 C-N-CA 125.74 1.616 . . . . 0.0 109.932 -178.685 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.41 -25.58 36.69 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -48.26 69.66 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.711 1.204 . . . . 0.0 110.301 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.83 -9.71 47.31 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.59 1.567 . . . . 0.0 114.234 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.17 -18.31 23.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.425 1.613 . . . . 0.0 112.048 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.24 -105.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.224 0 C-N-CA 125.193 1.397 . . . . 0.0 110.73 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.86 -77.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 130.905 3.682 . . . . 0.0 115.224 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -27.21 25.91 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.207 0.908 . . . . 0.0 113.174 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -56.86 -30.51 63.91 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 1.201 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.45 -0.466 0 C-N-CA 125.032 1.333 . . . . 0.0 108.241 -179.398 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.98 -23.18 17.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.255 1.422 . . . . 0.0 114.428 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -53.5 -44.29 68.96 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.551 1.54 . . . . 0.0 110.248 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.07 -14.52 46.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.459 1.504 . . . . 0.0 114.232 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.28 -22.6 25.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.62 -92.28 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.888 1.675 . . . . 0.0 111.562 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.53 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 130.883 3.673 . . . . 0.0 114.257 -167.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.03 -24.2 13.86 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.702 1.137 . . . . 0.0 113.71 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.07 -28.87 66.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.471 1.635 . . . . 0.0 112.559 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 126.038 1.735 . . . . 0.0 107.8 179.11 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.5 -22.8 22.7 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -53.74 -45.1 70.43 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.199 1.4 . . . . 0.0 110.362 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.0 -11.4 51.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.279 1.419 . . . . 0.0 114.226 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.89 -16.76 26.21 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.352 1.576 . . . . 0.0 112.25 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -104.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.185 0 C-N-CA 125.236 1.414 . . . . 0.0 110.705 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.04 -77.35 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.078 3.751 . . . . 0.0 115.3 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.8 -32.87 3.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.176 1.37 . . . . 0.0 112.996 168.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -60.51 -22.99 64.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.452 -0.35 0 C-N-CA 125.281 1.432 . . . . 0.0 108.971 -178.354 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.49 -24.13 29.72 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -46.84 71.02 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.896 1.278 . . . . 0.0 110.245 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.66 -11.63 49.77 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.32 1.438 . . . . 0.0 114.298 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.31 -18.35 24.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.305 1.552 . . . . 0.0 112.213 171.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -104.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.821 1.648 . . . . 0.0 110.425 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.05 -80.18 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 130.629 3.572 . . . . 0.0 114.707 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -29.95 4.22 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.186 1.374 . . . . 0.0 113.465 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.69 -17.29 62.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.57 1.185 . . . . 0.0 113.983 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 CA--C 1.531 0.233 0 C-N-CA 126.033 1.733 . . . . 0.0 108.825 -177.34 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.89 -23.31 30.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.85 -47.5 70.91 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.583 1.153 . . . . 0.0 110.002 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -6.72 30.38 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.817 1.675 . . . . 0.0 114.516 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 -17.36 20.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.336 1.568 . . . . 0.0 112.206 170.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.12 -105.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.877 1.671 . . . . 0.0 110.346 173.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.22 -82.35 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.159 3.383 . . . . 0.0 114.447 -171.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -19.46 10.84 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.865 1.222 . . . . 0.0 114.668 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -66.64 -14.87 62.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.34 1.57 . . . . 0.0 113.421 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 126.43 1.892 . . . . 0.0 108.443 -176.511 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.9 pt? -52.69 -26.77 14.85 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -170.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.68 -46.4 70.65 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 124.899 1.28 . . . . 0.0 110.39 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.96 -10.15 49.98 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 114.398 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.24 -16.19 26.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.435 1.618 . . . . 0.0 112.137 171.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -115.83 -104.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.521 1.529 . . . . 0.0 110.088 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.63 -79.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 130.668 3.587 . . . . 0.0 114.774 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.26 -33.34 7.63 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.87 1.224 . . . . 0.0 113.252 169.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -20.29 25.22 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.559 1.179 . . . . 0.0 113.435 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.448 -0.529 0 C-N-CA 126.025 1.73 . . . . 0.0 108.296 -178.483 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.33 -34.54 47.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.019 1.328 . . . . 0.0 114.456 -170.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.17 70.25 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.909 1.284 . . . . 0.0 110.608 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -11.8 52.67 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.59 1.567 . . . . 0.0 114.324 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.59 25.52 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.477 1.638 . . . . 0.0 112.065 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.17 -105.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 125.825 1.65 . . . . 0.0 110.77 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.75 -79.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 130.66 3.584 . . . . 0.0 114.844 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -30.18 4.34 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.257 1.408 . . . . 0.0 113.572 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -62.61 -26.19 68.48 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.594 1.197 . . . . 0.0 113.537 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 125.295 1.438 . . . . 0.0 108.918 -178.217 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.03 -23.32 19.19 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -45.86 70.67 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 125.099 1.36 . . . . 0.0 110.323 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.76 -11.98 51.69 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.034 -1.439 . . . . 0.0 114.31 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.91 -17.92 25.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.268 1.534 . . . . 0.0 112.187 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.16 -105.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 125.115 1.366 . . . . 0.0 110.313 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.3 -78.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 130.848 3.659 . . . . 0.0 114.937 -170.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.12 -30.64 2.71 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.453 1.501 . . . . 0.0 113.557 168.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -57.39 -41.03 79.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.827 1.251 . . . . 0.0 112.622 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.695 1.198 . . . . 0.0 109.2 -178.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.86 -25.34 41.76 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -53.8 -48.82 69.46 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.522 1.129 . . . . 0.0 110.222 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 -9.23 52.01 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.43 24.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.493 1.646 . . . . 0.0 111.74 169.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.38 -105.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.18 1.392 . . . . 0.0 110.688 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.78 -78.11 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.802 3.641 . . . . 0.0 115.295 -168.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -31.67 5.44 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.582 1.087 . . . . 0.0 112.255 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.36 -34.78 69.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.018 -1.284 . . . . 0.0 113.721 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 124.098 0.959 . . . . 0.0 109.261 179.511 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.78 -22.61 25.23 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -53.62 -45.8 70.25 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.839 1.256 . . . . 0.0 110.183 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.68 -12.99 43.88 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.368 1.461 . . . . 0.0 114.372 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.14 -20.37 25.72 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.358 1.579 . . . . 0.0 112.204 171.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.42 -97.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 126.54 1.936 . . . . 0.0 110.775 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.68 -86.65 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.567 3.147 . . . . 0.0 113.302 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -28.24 10.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.176 1.37 . . . . 0.0 114.817 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 10' ' ' ILE . 53.6 m-85 -69.27 -10.68 58.96 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.371 2.085 . . . . 0.0 113.366 174.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 9' ' ' PHE . 2.0 mp . . . . . 0 C--O 1.227 -0.122 0 C-N-CA 126.569 1.948 . . . . 0.0 106.965 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -23.92 22.54 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.12 1.368 . . . . 0.0 114.533 -170.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.76 -47.26 70.88 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 125.063 1.345 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.02 -9.43 40.76 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.593 1.568 . . . . 0.0 114.422 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.19 -24.66 24.38 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.449 1.624 . . . . 0.0 112.046 170.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pt -116.51 -96.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 C-N-CA 126.667 1.987 . . . . 0.0 111.314 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.51 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 130.215 3.406 . . . . 0.0 114.324 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.37 -27.57 11.94 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-N 119.901 1.228 . . . . 0.0 113.507 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.33 -12.0 8.02 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.384 -1.657 . . . . 0.0 113.874 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 127.636 2.374 . . . . 0.0 109.275 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.15 -23.25 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -53.73 -44.62 70.06 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.899 1.279 . . . . 0.0 110.79 175.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 -11.69 43.33 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 113.881 -1.509 . . . . 0.0 114.218 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.6 -15.2 27.18 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.216 1.508 . . . . 0.0 112.425 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -102.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 125.354 1.462 . . . . 0.0 110.879 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.9 -77.4 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.705 3.602 . . . . 0.0 115.362 -168.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.55 -28.78 5.17 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.31 1.433 . . . . 0.0 113.633 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.42 -25.09 67.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.346 1.073 . . . . 0.0 113.535 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.542 1.537 . . . . 0.0 108.709 -179.098 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.14 -23.44 47.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -168.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -53.95 -51.17 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 124.041 0.936 . . . . 0.0 109.849 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.75 -5.44 31.3 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.405 1.478 . . . . 0.0 114.35 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.33 -13.08 26.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.414 1.607 . . . . 0.0 112.257 170.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.47 -94.38 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 C-N-CA 126.23 1.812 . . . . 0.0 111.497 168.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.09 -84.98 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 130.235 3.414 . . . . 0.0 113.65 -168.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.41 -35.49 10.24 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.603 1.097 . . . . 0.0 114.045 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -66.43 -12.61 58.03 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.188 1.994 . . . . 0.0 113.496 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 125.751 1.621 . . . . 0.0 107.496 175.173 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.05 -24.8 26.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -170.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.72 -48.17 69.87 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 124.719 1.208 . . . . 0.0 110.15 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.46 -14.32 48.5 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.202 1.382 . . . . 0.0 114.226 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.3 -23.37 26.33 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.167 1.483 . . . . 0.0 112.161 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -94.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 126.009 1.724 . . . . 0.0 110.837 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.76 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 129.991 3.316 . . . . 0.0 113.037 -166.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.25 -26.64 2.37 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.861 1.696 . . . . 0.0 114.976 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.446 1.623 . . . . 0.0 113.208 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 127.813 2.445 . . . . 0.0 107.784 -174.519 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.71 -23.78 30.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.42 70.0 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.652 1.181 . . . . 0.0 110.076 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -9.48 47.51 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.43 1.49 . . . . 0.0 114.36 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.11 -19.93 23.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.536 1.668 . . . . 0.0 111.999 170.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.31 -106.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.294 1.438 . . . . 0.0 110.335 173.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.05 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 130.924 3.69 . . . . 0.0 114.829 -172.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.92 8.02 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.8 1.191 . . . . 0.0 113.559 169.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.01 -22.1 48.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.377 1.589 . . . . 0.0 112.989 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 126.173 1.789 . . . . 0.0 108.646 -175.798 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.41 -24.78 21.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.204 1.402 . . . . 0.0 114.691 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -53.8 -47.14 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.949 1.3 . . . . 0.0 110.115 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.08 -11.43 51.54 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.505 1.526 . . . . 0.0 114.33 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.58 -23.57 25.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.366 1.583 . . . . 0.0 111.85 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.53 -100.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 126.111 1.764 . . . . 0.0 111.341 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.67 -79.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 131.076 3.75 . . . . 0.0 114.898 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.95 -37.63 3.02 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.85 1.214 . . . . 0.0 112.472 167.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.93 -14.54 16.21 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 126.097 1.759 . . . . 0.0 109.127 179.888 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.57 -24.13 30.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -53.83 -45.78 70.95 Favored 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 124.839 1.255 . . . . 0.0 110.449 176.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.78 54.5 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.054 -1.43 . . . . 0.0 114.285 178.092 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.7 -17.72 26.27 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.35 1.575 . . . . 0.0 112.036 171.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -104.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.233 1.413 . . . . 0.0 110.47 176.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.94 -76.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.807 3.643 . . . . 0.0 115.466 -170.274 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.64 -27.8 9.61 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.648 1.118 . . . . 0.0 113.335 170.074 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -61.98 -24.98 67.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.353 1.061 . . . . 0.0 113.416 173.118 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 124.844 1.258 . . . . 0.0 108.631 -178.742 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.08 -28.27 38.06 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -169.085 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.81 -47.96 70.35 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.891 1.276 . . . . 0.0 110.412 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.38 -10.15 46.83 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.681 1.61 . . . . 0.0 114.292 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.92 -23.52 21.56 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.232 1.516 . . . . 0.0 112.109 170.535 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.58 -103.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 125.944 1.698 . . . . 0.0 111.562 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.87 -81.08 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 130.501 3.521 . . . . 0.0 114.729 -172.047 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -29.53 9.68 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.641 1.115 . . . . 0.0 113.156 170.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.86 -23.57 63.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.88 1.34 . . . . 0.0 113.303 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 CA--C 1.529 0.158 0 C-N-CA 126.124 1.77 . . . . 0.0 109.082 -176.667 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.71 -23.82 31.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.65 -47.9 69.91 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 124.822 1.249 . . . . 0.0 110.127 176.011 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.24 -10.61 53.21 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 114.01 -1.45 . . . . 0.0 114.286 178.463 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.14 -18.83 26.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.488 1.644 . . . . 0.0 111.817 170.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.24 -105.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 125.527 1.531 . . . . 0.0 110.71 175.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.41 -79.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 130.513 3.525 . . . . 0.0 114.851 -169.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.1 -28.96 4.45 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.246 1.403 . . . . 0.0 113.882 170.167 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.46 -23.18 67.29 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 1.244 . . . . 0.0 113.486 174.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.512 1.525 . . . . 0.0 108.785 -177.352 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.58 -34.17 24.78 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.501 1.52 . . . . 0.0 114.769 -170.291 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.76 -44.59 70.12 Favored 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 125.487 1.515 . . . . 0.0 110.996 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.57 -15.41 53.27 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 113.803 -1.544 . . . . 0.0 114.221 179.06 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.47 27.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.312 1.556 . . . . 0.0 112.335 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.29 -99.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.976 1.31 . . . . 0.0 111.058 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.64 -78.46 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 130.81 3.644 . . . . 0.0 115.101 -168.368 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.09 -29.81 2.37 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.544 1.545 . . . . 0.0 113.524 169.399 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.74 -44.15 90.43 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.532 1.133 . . . . 0.0 112.706 172.299 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.456 -0.147 0 C-N-CA 124.052 0.941 . . . . 0.0 109.427 179.858 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.06 -23.82 35.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -53.68 -49.04 68.87 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.514 1.126 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -9.22 44.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.342 1.449 . . . . 0.0 114.418 178.26 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.89 22.92 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.429 1.614 . . . . 0.0 111.882 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -106.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.876 1.67 . . . . 0.0 110.473 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.13 -82.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 130.164 3.386 . . . . 0.0 114.278 -172.194 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.06 6.24 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.169 1.366 . . . . 0.0 114.127 170.558 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.55 -22.42 63.62 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.318 1.559 . . . . 0.0 113.253 172.647 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 126.421 1.888 . . . . 0.0 108.645 -176.57 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.69 -25.0 52.91 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -167.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.71 -48.99 69.05 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 124.549 1.139 . . . . 0.0 110.198 176.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.68 45.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.423 1.487 . . . . 0.0 114.249 178.575 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.14 -17.84 23.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.336 1.568 . . . . 0.0 112.111 171.318 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.14 -105.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.33 1.452 . . . . 0.0 110.393 173.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.04 -79.47 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.742 3.617 . . . . 0.0 114.825 -172.201 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 -27.74 14.5 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.653 1.121 . . . . 0.0 113.475 170.046 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.76 -22.48 58.04 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 113.06 172.362 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 126.043 1.737 . . . . 0.0 107.705 -177.893 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.1 -26.83 40.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -53.89 -48.76 69.77 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 124.834 1.254 . . . . 0.0 110.054 176.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -9.54 39.51 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.458 1.504 . . . . 0.0 114.379 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.37 -24.51 23.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.355 1.577 . . . . 0.0 112.05 170.428 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.54 -95.5 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 C-N-CA 126.476 1.91 . . . . 0.0 111.437 178.409 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.39 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 129.842 3.257 . . . . 0.0 113.321 -167.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.35 -29.94 7.6 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.77 1.176 . . . . 0.0 113.968 174.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.52 -13.6 42.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 120.183 1.992 . . . . 0.0 112.382 176.02 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 127.825 2.45 . . . . 0.0 107.912 178.462 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.7 -23.16 27.11 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -169.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.7 -45.29 70.36 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.711 1.205 . . . . 0.0 110.318 175.001 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.25 -12.66 39.26 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.416 1.484 . . . . 0.0 114.339 178.259 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.92 24.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.265 1.532 . . . . 0.0 112.459 172.219 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.2 -98.03 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.218 1.807 . . . . 0.0 110.379 175.666 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.13 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 130.254 3.422 . . . . 0.0 114.329 -169.434 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.83 -20.76 14.08 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 120.153 1.342 . . . . 0.0 113.833 173.488 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.84 -18.83 61.49 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.348 -1.677 . . . . 0.0 112.874 170.084 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 127.337 2.255 . . . . 0.0 107.756 -178.152 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.95 -25.28 42.83 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.463 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -54.0 -48.96 69.89 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.484 1.113 . . . . 0.0 110.215 175.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -7.58 50.82 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.334 1.445 . . . . 0.0 114.295 177.808 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.0 -17.39 27.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.542 1.671 . . . . 0.0 111.737 169.696 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.06 -106.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 125.353 1.461 . . . . 0.0 110.721 174.21 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.54 -81.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 130.166 3.387 . . . . 0.0 114.821 -169.769 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.85 -31.57 5.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.181 1.372 . . . . 0.0 113.83 169.826 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.42 -17.48 54.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.11 1.455 . . . . 0.0 113.354 174.69 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 125.98 1.712 . . . . 0.0 108.852 -178.373 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.82 -22.64 25.93 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -169.518 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -53.84 -45.17 70.81 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 124.978 1.311 . . . . 0.0 110.497 175.536 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.6 -10.4 49.24 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.101 -1.408 . . . . 0.0 114.289 178.193 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.48 -16.22 27.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.313 1.557 . . . . 0.0 112.181 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.06 -104.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 125.44 1.496 . . . . 0.0 110.974 177.933 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -78.24 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 130.684 3.594 . . . . 0.0 115.561 -169.623 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.38 -32.45 3.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.457 1.503 . . . . 0.0 113.227 167.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.22 -18.27 60.65 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.198 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 125.119 1.368 . . . . 0.0 108.625 179.749 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.65 -23.93 19.39 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.164 1.386 . . . . 0.0 114.723 -169.547 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -53.83 -44.2 70.06 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 125.226 1.41 . . . . 0.0 110.552 176.151 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.17 45.99 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 114.109 -1.405 . . . . 0.0 114.303 177.674 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.4 -16.61 27.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.403 1.602 . . . . 0.0 112.42 171.801 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -99.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 C-N-CA 125.075 1.35 . . . . 0.0 110.717 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.36 -75.98 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 131.304 3.842 . . . . 0.0 115.539 -170.05 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.41 -31.88 3.62 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.083 1.325 . . . . 0.0 112.989 167.641 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.44 -24.56 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 175.291 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 125.148 1.379 . . . . 0.0 108.974 179.498 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.35 -25.05 32.7 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -169.256 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.83 -46.05 71.04 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 125.054 1.342 . . . . 0.0 110.378 176.498 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.84 -11.47 54.38 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.366 1.46 . . . . 0.0 114.281 178.843 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -18.47 28.23 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.391 1.595 . . . . 0.0 111.974 171.488 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.252 2.5 pt -116.3 -104.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 125.674 1.59 . . . . 0.0 111.196 179.092 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -80.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.374 3.47 . . . . 0.0 114.844 -170.062 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.41 -29.69 7.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.922 1.249 . . . . 0.0 113.602 171.014 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.36 -14.02 45.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.518 1.127 . . . . 0.0 113.424 174.551 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 126.219 1.808 . . . . 0.0 109.123 -178.489 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.34 -22.87 20.98 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -170.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.73 -43.99 69.55 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.222 1.409 . . . . 0.0 110.753 175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -14.8 36.59 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 114.052 -1.431 . . . . 0.0 114.196 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.42 -16.72 28.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.26 1.53 . . . . 0.0 112.631 173.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HB ' HD13 ' A' ' 10' ' ' ILE . 2.4 pt -116.09 -92.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 125.992 1.717 . . . . 0.0 110.777 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 24.38 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.331 3.053 . . . . 0.0 113.344 -167.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.31 -29.99 3.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.693 1.615 . . . . 0.0 115.437 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -67.41 -18.03 64.95 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.495 2.148 . . . . 0.0 113.448 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 6' ' ' ILE . 1.7 mp -111.68 -45.87 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 126.522 1.929 . . . . 0.0 107.609 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.82 -18.3 65.24 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.477 1.511 . . . . 0.0 112.011 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -147.41 -59.75 0.27 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.052 0.941 . . . . 0.0 109.543 167.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.94 28.75 0.21 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.702 1.144 . . . . 0.0 112.363 -166.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.41 67.28 1.03 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.899 2.08 . . . . 0.0 111.759 -168.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.37 145.11 14.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.118 163.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 -35.33 4.02 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 125.958 1.742 . . . . 0.0 110.73 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttp -70.93 -34.39 71.46 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.687 1.195 . . . . 0.0 110.667 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.71 -55.72 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 170.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.12 -19.42 56.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.686 1.594 . . . . 0.0 113.157 -159.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.106 0 C-N-CA 125.809 1.671 . . . . 0.0 115.139 -170.495 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.63 -27.52 50.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -167.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.93 -49.46 68.62 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.206 1.002 . . . . 0.0 110.19 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.22 -7.1 23.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.815 1.674 . . . . 0.0 114.402 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.33 -20.15 18.04 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.169 1.485 . . . . 0.0 112.362 170.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.37 -95.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 126.108 1.763 . . . . 0.0 111.329 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.33 -84.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 130.289 3.436 . . . . 0.0 113.895 -168.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.55 -30.4 8.42 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.906 1.241 . . . . 0.0 113.549 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.87 -10.45 13.36 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.15 1.475 . . . . 0.0 114.104 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mt -123.92 -54.89 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.242 1.817 . . . . 0.0 107.157 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.67 -15.25 57.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.476 1.91 . . . . 0.0 112.39 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -139.0 -33.72 0.63 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.237 1.015 . . . . 0.0 111.591 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.84 -64.66 4.2 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 124.924 1.25 . . . . 0.0 111.204 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.98 61.21 0.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.556 1.143 . . . . 0.0 109.713 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.79 137.36 58.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 122.02 0.914 . . . . 0.0 111.489 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.61 -18.98 3.38 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 126.009 1.766 . . . . 0.0 113.018 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -34.04 59.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.728 1.611 . . . . 0.0 111.752 168.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 mm -55.61 -54.39 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.887 1.275 . . . . 0.0 109.198 -175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -137.76 97.34 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 126.895 2.078 . . . . 0.0 106.38 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.613 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 176.632 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.307 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.12 -25.81 14.46 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.366 1.467 . . . . 0.0 114.494 -172.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -53.92 -49.29 68.98 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.965 1.306 . . . . 0.0 110.763 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.53 -26.22 64.22 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 114.593 -1.185 . . . . 0.0 113.253 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.74 74.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.374 1.087 . . . . 0.0 110.231 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 pt -103.59 -103.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.194 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.157 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.13 -82.19 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 129.981 3.312 . . . . 0.0 114.407 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.3 -35.78 1.25 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.338 1.446 . . . . 0.0 113.095 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -47.94 -56.36 7.79 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.528 1.164 . . . . 0.0 111.895 170.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.31 -32.2 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.74 1.616 . . . . 0.0 109.932 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -69.72 -0.03 6.34 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.158 0.983 . . . . 0.0 112.333 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 69.63 29.47 4.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.966 2.506 . . . . 0.0 108.378 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.92 -1.89 82.52 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 129.359 3.361 . . . . 0.0 113.409 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 96.49 76.54 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 131.291 3.836 . . . . 0.0 107.485 -162.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.1 138.24 20.33 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.41 0.624 . . . . 0.0 110.679 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.73 -38.66 3.07 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 126.371 1.939 . . . . 0.0 110.846 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 ttp -75.45 -34.24 60.94 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 124.924 1.29 . . . . 0.0 109.871 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.74 -50.51 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.91 -21.1 64.46 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.445 1.898 . . . . 0.0 111.786 -176.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.204 0 C-N-CA 125.647 1.594 . . . . 0.0 113.903 173.074 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.41 -25.58 36.69 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -48.26 69.66 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.711 1.204 . . . . 0.0 110.301 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.83 -9.71 47.31 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.59 1.567 . . . . 0.0 114.234 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.17 -18.31 23.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.425 1.613 . . . . 0.0 112.048 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.24 -105.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.224 0 C-N-CA 125.193 1.397 . . . . 0.0 110.73 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.86 -77.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 130.905 3.682 . . . . 0.0 115.224 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -27.21 25.91 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.207 0.908 . . . . 0.0 113.174 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -56.86 -30.51 63.91 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 1.201 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.76 -50.4 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 125.032 1.333 . . . . 0.0 108.241 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.24 -9.94 55.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.033 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -156.46 -37.61 0.08 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.396 1.078 . . . . 0.0 113.083 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.22 32.12 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.603 -1.109 . . . . 0.0 111.498 -158.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 95.28 108.57 0.02 OUTLIER 'General case' 0 C--N 1.347 0.488 0 C-N-CA 131.644 3.978 . . . . 0.0 109.35 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -60.98 140.28 57.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.019 1.328 . . . . 0.0 110.674 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.98 -25.96 1.79 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.823 1.678 . . . . 0.0 112.315 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.2 -33.79 73.89 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.001 2.12 . . . . 0.0 110.678 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.04 -63.26 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 123.925 0.89 . . . . 0.0 108.684 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -163.07 165.82 24.3 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.766 2.427 . . . . 0.0 107.541 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 C-N-CA 125.473 1.511 . . . . 0.0 112.506 174.57 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.98 -23.18 17.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.255 1.422 . . . . 0.0 114.428 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -53.5 -44.29 68.96 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.551 1.54 . . . . 0.0 110.248 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.07 -14.52 46.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.459 1.504 . . . . 0.0 114.232 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.28 -22.6 25.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.62 -92.28 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.888 1.675 . . . . 0.0 111.562 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.53 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 130.883 3.673 . . . . 0.0 114.257 -167.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.03 -24.2 13.86 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.702 1.137 . . . . 0.0 113.71 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.07 -28.87 66.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.471 1.635 . . . . 0.0 112.559 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.28 -61.26 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 126.038 1.735 . . . . 0.0 107.8 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.68 -15.27 27.08 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.307 1.843 . . . . 0.0 112.537 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.11 9.25 2.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.425 0.69 . . . . 0.0 111.184 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.35 20.57 37.35 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-O 118.598 -1.112 . . . . 0.0 113.906 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 67.35 112.44 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 128.767 2.827 . . . . 0.0 112.088 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.29 142.05 49.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.702 0.763 . . . . 0.0 110.818 174.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.78 -32.16 2.44 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 126.376 1.941 . . . . 0.0 111.097 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -33.95 77.0 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.161 1.784 . . . . 0.0 110.267 175.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.0 mm -56.52 -32.5 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.102 1.361 . . . . 0.0 111.369 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -102.22 1.49 35.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.408 1.883 . . . . 0.0 112.166 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.794 0 C-N-CA 125.15 1.357 . . . . 0.0 111.371 -175.145 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.5 -22.8 22.7 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -53.74 -45.1 70.43 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.199 1.4 . . . . 0.0 110.362 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.0 -11.4 51.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.279 1.419 . . . . 0.0 114.226 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.89 -16.76 26.21 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.352 1.576 . . . . 0.0 112.25 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -104.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.185 0 C-N-CA 125.236 1.414 . . . . 0.0 110.705 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.04 -77.35 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.078 3.751 . . . . 0.0 115.3 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.8 -32.87 3.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.176 1.37 . . . . 0.0 112.996 168.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -60.51 -22.99 64.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.57 -35.67 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.281 1.432 . . . . 0.0 108.971 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -66.05 -24.97 66.84 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.804 -0.617 . . . . 0.0 111.675 174.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.47 -41.19 0.09 Allowed 'General case' 0 C--N 1.346 0.424 0 CA-C-N 119.214 0.915 . . . . 0.0 113.051 172.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.31 -84.01 0.37 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -169.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.58 93.22 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.859 1.264 . . . . 0.0 108.405 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.57 161.93 29.25 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 164.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.55 -27.78 1.83 Allowed Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.034 1.302 . . . . 0.0 112.046 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.41 -34.13 77.26 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 127.506 2.322 . . . . 0.0 111.709 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 18' ' ' ILE . 3.9 mp -65.72 -47.33 86.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.034 1.334 . . . . 0.0 108.154 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.19 -47.25 45.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.006 2.122 . . . . 0.0 110.488 -171.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.814 0 C-N-CA 125.655 1.597 . . . . 0.0 110.607 -174.624 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.49 -24.13 29.72 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -46.84 71.02 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.896 1.278 . . . . 0.0 110.245 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.66 -11.63 49.77 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.32 1.438 . . . . 0.0 114.298 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.31 -18.35 24.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.305 1.552 . . . . 0.0 112.213 171.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -104.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.821 1.648 . . . . 0.0 110.425 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.05 -80.18 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 130.629 3.572 . . . . 0.0 114.707 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -29.95 4.22 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.186 1.374 . . . . 0.0 113.465 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.69 -17.29 62.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.57 1.185 . . . . 0.0 113.983 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.54 -39.86 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 126.033 1.733 . . . . 0.0 108.825 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.02 -19.35 64.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.157 1.383 . . . . 0.0 111.585 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -139.47 -61.86 0.54 Allowed 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.767 1.227 . . . . 0.0 109.621 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.76 -76.39 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -161.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.45 20.39 0.1 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.99 124.34 2.64 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.559 1.527 . . . . 0.0 113.521 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.61 -48.97 0.88 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 127.458 2.456 . . . . 0.0 110.091 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -33.85 71.21 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.538 1.535 . . . . 0.0 110.955 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -69.49 -51.59 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.56 -38.57 89.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.085 2.154 . . . . 0.0 111.658 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.195 0 C-N-CA 126.082 1.801 . . . . 0.0 114.906 169.555 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.89 -23.31 30.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.85 -47.5 70.91 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.583 1.153 . . . . 0.0 110.002 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -6.72 30.38 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.817 1.675 . . . . 0.0 114.516 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 -17.36 20.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.336 1.568 . . . . 0.0 112.206 170.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.12 -105.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.877 1.671 . . . . 0.0 110.346 173.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.22 -82.35 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.159 3.383 . . . . 0.0 114.447 -171.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -19.46 10.84 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.865 1.222 . . . . 0.0 114.668 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -66.64 -14.87 62.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.34 1.57 . . . . 0.0 113.421 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.71 -46.05 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 126.43 1.892 . . . . 0.0 108.443 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.07 -7.08 43.97 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.192 1.797 . . . . 0.0 111.937 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.54 -51.07 0.25 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.766 1.226 . . . . 0.0 110.381 168.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.11 23.45 5.8 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 117.919 -1.489 . . . . 0.0 112.311 -164.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 96.09 105.18 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 130.592 3.557 . . . . 0.0 108.207 -166.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' MET . 1.4 mp0 -68.61 137.22 54.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.044 0.938 . . . . 0.0 112.505 -162.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.63 -28.68 1.28 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.08 1.8 . . . . 0.0 111.662 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.4 ttm -59.18 -33.42 70.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.332 3.053 . . . . 0.0 110.36 170.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.9 mm -52.42 -35.24 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.32 1.448 . . . . 0.0 111.326 171.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 55.51 -148.39 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.951 2.1 . . . . 0.0 110.866 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 C-N-CA 125.456 1.503 . . . . 0.0 111.613 -164.688 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.9 pt? -52.69 -26.77 14.85 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -170.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.68 -46.4 70.65 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 124.899 1.28 . . . . 0.0 110.39 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.96 -10.15 49.98 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 114.398 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.24 -16.19 26.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.435 1.618 . . . . 0.0 112.137 171.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -115.83 -104.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.521 1.529 . . . . 0.0 110.088 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.63 -79.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 130.668 3.587 . . . . 0.0 114.774 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.26 -33.34 7.63 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.87 1.224 . . . . 0.0 113.252 169.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -20.29 25.22 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.559 1.179 . . . . 0.0 113.435 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.14 -48.15 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.025 1.73 . . . . 0.0 108.296 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.41 -17.49 59.36 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.294 1.038 . . . . 0.0 112.578 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.42 24.42 5.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.399 1.879 . . . . 0.0 109.705 171.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.56 30.65 0.36 Allowed Glycine 0 CA--C 1.533 1.157 0 C-N-CA 127.201 2.334 . . . . 0.0 116.508 -169.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.6 65.25 1.49 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 164.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 147.53 46.61 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.252 -168.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 -40.45 2.44 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 125.399 1.476 . . . . 0.0 110.185 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.99 -33.61 70.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.424 1.49 . . . . 0.0 111.708 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 mp -53.05 -30.39 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 127.234 2.214 . . . . 0.0 111.155 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 50.92 -93.69 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.086 2.154 . . . . 0.0 112.56 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.846 0 C-N-CA 125.654 1.597 . . . . 0.0 112.003 -177.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.33 -34.54 47.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.019 1.328 . . . . 0.0 114.456 -170.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.17 70.25 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.909 1.284 . . . . 0.0 110.608 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -11.8 52.67 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.59 1.567 . . . . 0.0 114.324 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.59 25.52 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.477 1.638 . . . . 0.0 112.065 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.17 -105.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 125.825 1.65 . . . . 0.0 110.77 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.75 -79.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 130.66 3.584 . . . . 0.0 114.844 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -30.18 4.34 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.257 1.408 . . . . 0.0 113.572 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -62.61 -26.19 68.48 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.594 1.197 . . . . 0.0 113.537 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.28 -37.49 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.295 1.438 . . . . 0.0 108.918 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.32 -22.87 65.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.3 0.64 . . . . 0.0 111.616 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -148.46 -59.52 0.24 Allowed 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.569 1.148 . . . . 0.0 110.35 174.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.92 -70.96 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -162.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.57 5.07 0.2 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.74 1.755 . . . . 0.0 115.74 -168.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 142.47 36.7 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.897 1.681 . . . . 0.0 112.845 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.58 -41.67 2.34 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 125.938 1.733 . . . . 0.0 109.999 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -33.4 71.29 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.034 1.734 . . . . 0.0 111.836 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 mp -52.87 -30.82 16.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 126.174 1.789 . . . . 0.0 111.324 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.81 69.34 0.58 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.529 1.932 . . . . 0.0 111.728 -166.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.792 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 174.109 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.03 -23.32 19.19 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -45.86 70.67 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 125.099 1.36 . . . . 0.0 110.323 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.76 -11.98 51.69 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.034 -1.439 . . . . 0.0 114.31 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.91 -17.92 25.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.268 1.534 . . . . 0.0 112.187 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.16 -105.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 125.115 1.366 . . . . 0.0 110.313 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.3 -78.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 130.848 3.659 . . . . 0.0 114.937 -170.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.12 -30.64 2.71 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.453 1.501 . . . . 0.0 113.557 168.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -57.39 -41.03 79.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.827 1.251 . . . . 0.0 112.622 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -86.41 -39.24 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.695 1.198 . . . . 0.0 109.2 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.03 -22.71 66.45 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.202 0.601 . . . . 0.0 111.565 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.97 -55.57 0.04 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.575 0.75 . . . . 0.0 112.744 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.3 -18.41 0.06 OUTLIER Glycine 0 CA--C 1.534 1.233 0 C-N-CA 126.913 2.197 . . . . 0.0 116.926 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.74 35.41 1.99 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.112 1.456 . . . . 0.0 111.204 -169.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -52.93 133.67 37.84 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.623 -0.673 . . . . 0.0 109.216 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.39 -37.31 3.57 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 126.286 1.898 . . . . 0.0 110.797 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ttp -73.08 -35.13 66.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 125.235 1.414 . . . . 0.0 110.254 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.98 -48.31 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.04 -28.96 22.29 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.058 1.343 . . . . 0.0 112.098 -161.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.858 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.108 -164.66 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.86 -25.34 41.76 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -53.8 -48.82 69.46 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.522 1.129 . . . . 0.0 110.222 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 -9.23 52.01 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.43 24.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.493 1.646 . . . . 0.0 111.74 169.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.38 -105.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.18 1.392 . . . . 0.0 110.688 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.78 -78.11 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.802 3.641 . . . . 0.0 115.295 -168.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -31.67 5.44 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.582 1.087 . . . . 0.0 112.255 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.36 -34.78 69.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.018 -1.284 . . . . 0.0 113.721 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.04 -36.11 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 124.098 0.959 . . . . 0.0 109.261 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.9 -26.87 68.5 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.426 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -164.33 -34.05 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.98 -1.49 3.48 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 118.063 -1.409 . . . . 0.0 113.655 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 88.52 101.7 0.03 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.208 3.403 . . . . 0.0 107.809 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 171.46 5.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.551 1.167 . . . . 0.0 110.152 164.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.49 -37.12 2.76 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 126.455 1.978 . . . . 0.0 110.188 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.21 -36.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.981 1.712 . . . . 0.0 111.202 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.33 -45.43 14.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.846 1.258 . . . . 0.0 108.567 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.15 -11.38 57.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.805 1.642 . . . . 0.0 113.182 -159.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 C-N-CA 124.743 1.163 . . . . 0.0 111.325 178.772 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.78 -22.61 25.23 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -53.62 -45.8 70.25 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.839 1.256 . . . . 0.0 110.183 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.68 -12.99 43.88 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.368 1.461 . . . . 0.0 114.372 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.14 -20.37 25.72 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.358 1.579 . . . . 0.0 112.204 171.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.42 -97.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 126.54 1.936 . . . . 0.0 110.775 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.68 -86.65 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.567 3.147 . . . . 0.0 113.302 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -28.24 10.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.176 1.37 . . . . 0.0 114.817 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 10' ' ' ILE . 53.6 m-85 -69.27 -10.68 58.96 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.371 2.085 . . . . 0.0 113.366 174.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 9' ' ' PHE . 2.0 mp -118.14 -57.04 3.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 126.569 1.948 . . . . 0.0 106.965 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.03 -9.5 39.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.229 2.212 . . . . 0.0 112.259 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.43 -7.87 0.52 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.679 1.192 . . . . 0.0 113.105 174.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.47 -53.85 2.8 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 120.241 1.382 . . . . 0.0 111.449 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.27 96.53 2.42 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.617 1.567 . . . . 0.0 107.336 169.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.21 145.41 53.63 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.64 0.734 . . . . 0.0 111.776 -175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.03 -36.83 2.35 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 126.887 2.184 . . . . 0.0 110.694 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 ttp -61.11 -33.65 73.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.887 2.475 . . . . 0.0 111.558 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mm -61.68 -33.19 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.915 1.686 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 43.66 -105.65 0.08 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.692 2.397 . . . . 0.0 110.751 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 CA-C-N 119.925 1.239 . . . . 0.0 111.169 173.278 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -23.92 22.54 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.12 1.368 . . . . 0.0 114.533 -170.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.76 -47.26 70.88 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 125.063 1.345 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.02 -9.43 40.76 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.593 1.568 . . . . 0.0 114.422 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.19 -24.66 24.38 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.449 1.624 . . . . 0.0 112.046 170.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pt -116.51 -96.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 C-N-CA 126.667 1.987 . . . . 0.0 111.314 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.51 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 130.215 3.406 . . . . 0.0 114.324 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.37 -27.57 11.94 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-N 119.901 1.228 . . . . 0.0 113.507 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.33 -12.0 8.02 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.384 -1.657 . . . . 0.0 113.874 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -125.09 -48.6 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 127.636 2.374 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.56 -14.08 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.329 1.852 . . . . 0.0 112.115 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -113.36 -46.71 3.05 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 159.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.54 113.25 3.8 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 106.949 -2.46 . . . . 0.0 106.949 -170.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 31.23 64.29 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.268 2.627 . . . . 0.0 112.867 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.89 153.01 43.16 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.169 0.985 . . . . 0.0 111.798 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.58 -46.17 3.61 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.681 2.086 . . . . 0.0 109.347 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 ttp -52.32 -33.31 41.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 129.241 3.016 . . . . 0.0 112.798 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 mp -42.88 -36.08 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.841 2.057 . . . . 0.0 111.569 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -127.67 156.07 42.93 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.037 0.835 . . . . 0.0 110.923 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.184 0 C-N-CA 125.661 1.601 . . . . 0.0 112.192 169.824 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.15 -23.25 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -53.73 -44.62 70.06 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.899 1.279 . . . . 0.0 110.79 175.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 -11.69 43.33 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 113.881 -1.509 . . . . 0.0 114.218 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.6 -15.2 27.18 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.216 1.508 . . . . 0.0 112.425 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -102.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 125.354 1.462 . . . . 0.0 110.879 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.9 -77.4 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.705 3.602 . . . . 0.0 115.362 -168.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.55 -28.78 5.17 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.31 1.433 . . . . 0.0 113.633 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.42 -25.09 67.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.346 1.073 . . . . 0.0 113.535 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.81 -38.9 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 125.542 1.537 . . . . 0.0 108.709 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.42 -19.7 65.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.134 0.574 . . . . 0.0 111.828 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -150.81 -56.89 0.16 Allowed 'General case' 0 C--N 1.342 0.248 0 C-N-CA 124.326 1.05 . . . . 0.0 111.066 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.98 -71.83 0.49 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -163.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.11 84.51 0.44 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.795 1.238 . . . . 0.0 108.676 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -74.07 168.36 19.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 122.281 1.039 . . . . 0.0 112.224 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 -39.22 3.03 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 127.305 2.383 . . . . 0.0 109.732 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 ttm -58.47 -34.05 70.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.138 2.175 . . . . 0.0 111.47 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.581 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.6 mp -51.67 -40.39 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.173 1.389 . . . . 0.0 110.244 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -81.0 65.61 6.2 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 122.232 1.015 . . . . 0.0 110.377 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 C-N-CA 124.807 1.194 . . . . 0.0 112.463 176.9 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.14 -23.44 47.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -168.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -53.95 -51.17 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 124.041 0.936 . . . . 0.0 109.849 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.75 -5.44 31.3 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.405 1.478 . . . . 0.0 114.35 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.33 -13.08 26.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.414 1.607 . . . . 0.0 112.257 170.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.47 -94.38 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 C-N-CA 126.23 1.812 . . . . 0.0 111.497 168.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.09 -84.98 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 130.235 3.414 . . . . 0.0 113.65 -168.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.41 -35.49 10.24 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.603 1.097 . . . . 0.0 114.045 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -66.43 -12.61 58.03 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.188 1.994 . . . . 0.0 113.496 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -105.97 -54.92 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.751 1.621 . . . . 0.0 107.496 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.27 -11.87 35.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.949 1.299 . . . . 0.0 113.469 -174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.03 -27.88 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.93 -69.15 2.95 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -172.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 56.52 1.4 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.808 1.643 . . . . 0.0 110.227 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.8 pp20? -74.83 161.03 29.94 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.822 0.82 . . . . 0.0 111.929 -178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 -43.2 2.78 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 127.347 2.403 . . . . 0.0 109.277 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -50.92 -33.43 24.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 130.67 3.588 . . . . 0.0 112.365 -177.118 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -41.36 -37.13 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.046 2.139 . . . . 0.0 112.072 169.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -117.94 148.52 42.1 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.464 1.029 . . . . 0.0 110.56 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 C-N-CA 128.078 2.751 . . . . 0.0 115.173 -174.018 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.72 -48.69 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -72.36 -8.67 56.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.191 1.797 . . . . 0.0 112.077 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.85 -18.65 0.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.9 1.28 . . . . 0.0 112.797 169.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.74 -64.55 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.18 65.97 1.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.304 1.041 . . . . 0.0 110.379 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.6 160.34 22.76 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 162.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 -31.16 3.75 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.039 1.304 . . . . 0.0 111.308 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttp -68.07 -37.24 81.03 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.212 2.205 . . . . 0.0 111.404 176.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.2 mp -71.56 -43.37 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 14.3 0.14 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.243 3.017 . . . . 0.0 114.025 -164.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 126.442 1.972 . . . . 0.0 112.444 175.844 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.05 -24.8 26.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -170.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.72 -48.17 69.87 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 124.719 1.208 . . . . 0.0 110.15 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.46 -14.32 48.5 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.202 1.382 . . . . 0.0 114.226 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.3 -23.37 26.33 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.167 1.483 . . . . 0.0 112.161 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -94.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 126.009 1.724 . . . . 0.0 110.837 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.76 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 129.991 3.316 . . . . 0.0 113.037 -166.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.25 -26.64 2.37 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.861 1.696 . . . . 0.0 114.976 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.446 1.623 . . . . 0.0 113.208 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 mt -101.47 -54.86 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 127.813 2.445 . . . . 0.0 107.784 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.28 -6.45 29.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.32 2.248 . . . . 0.0 112.498 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.17 -55.4 0.44 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.326 0.966 . . . . 0.0 111.267 170.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 92.99 0.56 Allowed Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.04 -53.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.236 2.614 . . . . 0.0 115.301 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 52.51 147.35 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 130.88 3.672 . . . . 0.0 114.557 -164.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.68 2.04 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 127.732 2.587 . . . . 0.0 110.482 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.7 ttp -58.93 -35.99 74.01 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 129.494 3.117 . . . . 0.0 111.423 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 mm -91.35 -47.06 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.655 1.182 . . . . 0.0 108.096 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.17 -13.95 59.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.913 2.085 . . . . 0.0 113.49 -159.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -170.489 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.71 -23.78 30.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.42 70.0 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.652 1.181 . . . . 0.0 110.076 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -9.48 47.51 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.43 1.49 . . . . 0.0 114.36 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.11 -19.93 23.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.536 1.668 . . . . 0.0 111.999 170.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.31 -106.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.294 1.438 . . . . 0.0 110.335 173.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.05 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 130.924 3.69 . . . . 0.0 114.829 -172.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.92 8.02 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.8 1.191 . . . . 0.0 113.559 169.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.01 -22.1 48.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.377 1.589 . . . . 0.0 112.989 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.47 -49.06 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.173 1.789 . . . . 0.0 108.646 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.02 -21.13 65.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.407 1.083 . . . . 0.0 111.639 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.81 56.6 1.78 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.651 1.98 . . . . 0.0 106.098 167.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.88 47.21 0.61 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.31 1.433 . . . . 0.0 112.178 171.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.66 35.01 1.04 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.517 3.527 . . . . 0.0 107.917 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.57 150.83 43.12 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.124 -0.985 . . . . 0.0 109.054 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -32.86 3.99 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.226 0.917 . . . . 0.0 111.457 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.04 -34.0 66.05 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.467 1.907 . . . . 0.0 111.324 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.29 -60.3 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.35 160.37 43.32 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 128.33 2.652 . . . . 0.0 105.681 159.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 C-N-CA 126.336 1.922 . . . . 0.0 113.233 173.102 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.41 -24.78 21.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.204 1.402 . . . . 0.0 114.691 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -53.8 -47.14 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.949 1.3 . . . . 0.0 110.115 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.08 -11.43 51.54 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.505 1.526 . . . . 0.0 114.33 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.58 -23.57 25.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.366 1.583 . . . . 0.0 111.85 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.53 -100.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 126.111 1.764 . . . . 0.0 111.341 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.67 -79.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 131.076 3.75 . . . . 0.0 114.898 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.95 -37.63 3.02 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.85 1.214 . . . . 0.0 112.472 167.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.93 -14.54 16.21 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -118.86 -40.33 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 126.097 1.759 . . . . 0.0 109.127 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.46 -19.71 65.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.943 0.897 . . . . 0.0 111.977 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -141.67 -52.38 0.43 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.513 1.125 . . . . 0.0 110.057 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.96 -23.1 0.31 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.133 1.825 . . . . 0.0 115.792 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.98 -3.17 34.12 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.94 1.37 . . . . 0.0 113.417 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -59.55 134.29 56.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.635 1.561 . . . . 0.0 110.985 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.84 -24.47 2.77 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.315 1.436 . . . . 0.0 112.271 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -70.57 -33.96 71.67 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.321 1.849 . . . . 0.0 111.645 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.42 -58.89 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 128.237 2.615 . . . . 0.0 111.926 -170.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -140.46 169.08 18.32 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.742 1.617 . . . . 0.0 110.001 -172.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 125.151 1.358 . . . . 0.0 112.024 -168.548 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.72 -48.69 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -72.36 -8.67 56.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.191 1.797 . . . . 0.0 112.077 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.85 -18.65 0.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.9 1.28 . . . . 0.0 112.797 169.45 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.74 -64.55 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.18 65.97 1.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.304 1.041 . . . . 0.0 110.379 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.6 160.34 22.76 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 162.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 -31.16 3.75 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.039 1.304 . . . . 0.0 111.308 -176.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttp -68.07 -37.24 81.03 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.212 2.205 . . . . 0.0 111.404 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' H ' HD12 ' A' ' 18' ' ' ILE . 4.2 mp -71.56 -43.37 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.013 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 14.3 0.14 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.243 3.017 . . . . 0.0 114.025 -164.003 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 126.442 1.972 . . . . 0.0 112.444 175.844 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.57 -24.13 30.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -53.83 -45.78 70.95 Favored 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 124.839 1.255 . . . . 0.0 110.449 176.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.78 54.5 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.054 -1.43 . . . . 0.0 114.285 178.092 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.7 -17.72 26.27 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.35 1.575 . . . . 0.0 112.036 171.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -104.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.233 1.413 . . . . 0.0 110.47 176.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.94 -76.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.807 3.643 . . . . 0.0 115.466 -170.274 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.64 -27.8 9.61 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.648 1.118 . . . . 0.0 113.335 170.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -61.98 -24.98 67.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.353 1.061 . . . . 0.0 113.416 173.118 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.89 -40.61 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.844 1.258 . . . . 0.0 108.631 -178.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.36 -23.17 67.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.305 0.642 . . . . 0.0 111.554 176.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -147.17 -60.99 0.28 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.351 1.06 . . . . 0.0 110.19 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.67 -72.85 0.47 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -163.008 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.31 12.62 0.35 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -166.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.67 153.99 15.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.903 1.683 . . . . 0.0 113.064 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.68 -40.58 3.03 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 126.484 1.993 . . . . 0.0 109.95 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ttp -57.46 -33.93 68.47 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.123 2.169 . . . . 0.0 111.981 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 mp -58.59 -38.35 70.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.921 1.688 . . . . 0.0 110.928 178.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.14 -69.84 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.639 0.654 . . . . 0.0 110.58 -169.253 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -171.034 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.08 -28.27 38.06 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -169.085 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.81 -47.96 70.35 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.891 1.276 . . . . 0.0 110.412 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.38 -10.15 46.83 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.681 1.61 . . . . 0.0 114.292 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.92 -23.52 21.56 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.232 1.516 . . . . 0.0 112.109 170.535 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.58 -103.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 125.944 1.698 . . . . 0.0 111.562 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.87 -81.08 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 130.501 3.521 . . . . 0.0 114.729 -172.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -29.53 9.68 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.641 1.115 . . . . 0.0 113.156 170.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.86 -23.57 63.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.88 1.34 . . . . 0.0 113.303 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.43 -44.29 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 126.124 1.77 . . . . 0.0 109.082 -176.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.59 -14.43 62.84 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.262 1.025 . . . . 0.0 111.932 178.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -141.29 -62.92 0.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.602 1.161 . . . . 0.0 111.606 176.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.64 3.95 51.06 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.2 38.42 3.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.969 1.708 . . . . 0.0 109.036 177.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.04 151.11 45.9 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.162 0.985 . . . . 0.0 111.547 -164.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.02 -38.9 3.14 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 126.079 1.799 . . . . 0.0 110.438 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.44 63.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.459 2.304 . . . . 0.0 111.766 177.338 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' CD1' ' H ' ' A' ' 18' ' ' ILE . 1.6 mp -49.0 -32.0 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 127.245 2.218 . . . . 0.0 111.771 175.227 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.17 -144.06 0.7 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.971 0.908 . . . . 0.0 109.377 -168.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.301 0 C-N-CA 125.724 1.631 . . . . 0.0 113.676 178.184 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.71 -23.82 31.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.65 -47.9 69.91 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 124.822 1.249 . . . . 0.0 110.127 176.011 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.24 -10.61 53.21 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 114.01 -1.45 . . . . 0.0 114.286 178.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.14 -18.83 26.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.488 1.644 . . . . 0.0 111.817 170.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.24 -105.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 125.527 1.531 . . . . 0.0 110.71 175.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.41 -79.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 130.513 3.525 . . . . 0.0 114.851 -169.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.1 -28.96 4.45 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.246 1.403 . . . . 0.0 113.882 170.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.46 -23.18 67.29 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 1.244 . . . . 0.0 113.486 174.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.3 -36.66 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.512 1.525 . . . . 0.0 108.785 -177.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.64 -22.3 65.33 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.181 0.592 . . . . 0.0 111.661 174.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -147.01 -61.0 0.29 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.458 1.103 . . . . 0.0 110.108 172.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.72 -67.94 0.56 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.358 0.98 . . . . 0.0 110.682 -163.022 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.77 -1.6 0.17 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -167.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.81 142.98 22.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.035 1.743 . . . . 0.0 112.539 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.46 -35.38 4.75 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 126.252 1.882 . . . . 0.0 111.219 -175.075 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -39.33 71.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 117.505 0.652 . . . . 0.0 110.303 175.396 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.96 -46.32 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.76 7.19 0.27 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.443 3.497 . . . . 0.0 113.71 -171.45 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 C-N-CA 124.524 1.059 . . . . 0.0 112.997 176.798 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.58 -34.17 24.78 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.501 1.52 . . . . 0.0 114.769 -170.291 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.76 -44.59 70.12 Favored 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 125.487 1.515 . . . . 0.0 110.996 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.57 -15.41 53.27 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 113.803 -1.544 . . . . 0.0 114.221 179.06 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.47 27.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.312 1.556 . . . . 0.0 112.335 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.29 -99.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.976 1.31 . . . . 0.0 111.058 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.64 -78.46 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 130.81 3.644 . . . . 0.0 115.101 -168.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.09 -29.81 2.37 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.544 1.545 . . . . 0.0 113.524 169.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.74 -44.15 90.43 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.532 1.133 . . . . 0.0 112.706 172.299 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.77 -34.71 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.052 0.941 . . . . 0.0 109.427 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.26 -30.51 70.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.234 177.7 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -165.97 -46.27 0.03 OUTLIER 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.056 0.942 . . . . 0.0 111.346 163.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 CA-C-O 118.72 -1.044 . . . . 0.0 113.782 -171.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.22 85.53 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.779 2.432 . . . . 0.0 109.809 -170.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.39 161.96 21.47 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -169.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.79 -36.76 3.4 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 127.328 2.394 . . . . 0.0 109.875 -173.287 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.0 ttp -62.33 -33.84 75.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.928 2.491 . . . . 0.0 111.9 175.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.13 -33.43 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 126.561 1.944 . . . . 0.0 110.853 176.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -71.92 158.0 36.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.694 0.759 . . . . 0.0 112.135 -171.028 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 C-N-CA 125.088 1.328 . . . . 0.0 110.846 175.52 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.06 -23.82 35.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -53.68 -49.04 68.87 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.514 1.126 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -9.22 44.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.342 1.449 . . . . 0.0 114.418 178.26 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.89 22.92 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.429 1.614 . . . . 0.0 111.882 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -106.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.876 1.67 . . . . 0.0 110.473 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.13 -82.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 130.164 3.386 . . . . 0.0 114.278 -172.194 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.06 6.24 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.169 1.366 . . . . 0.0 114.127 170.558 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.55 -22.42 63.62 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.318 1.559 . . . . 0.0 113.253 172.647 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -113.08 -45.13 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.421 1.888 . . . . 0.0 108.645 -176.57 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -74.21 -7.14 51.66 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.811 1.644 . . . . 0.0 112.227 -178.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.68 -46.25 0.17 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.604 1.162 . . . . 0.0 111.785 172.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 3.11 13.81 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.373 1.463 . . . . 0.0 112.941 -166.775 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 95.79 98.8 0.01 OUTLIER 'General case' 0 C--N 1.347 0.48 0 C-N-CA 130.862 3.665 . . . . 0.0 109.504 -173.743 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.81 149.15 4.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.245 2.218 . . . . 0.0 111.091 -179.178 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.8 -47.84 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 127.935 2.683 . . . . 0.0 108.148 -169.41 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -33.91 70.9 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 124.511 1.125 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.68 -65.51 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.66 -26.57 50.47 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 128.087 2.555 . . . . 0.0 113.433 -168.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 CA-C-O 118.872 -0.96 . . . . 0.0 113.581 -178.565 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.69 -25.0 52.91 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -167.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.71 -48.99 69.05 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 124.549 1.139 . . . . 0.0 110.198 176.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.68 45.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.423 1.487 . . . . 0.0 114.249 178.575 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.14 -17.84 23.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.336 1.568 . . . . 0.0 112.111 171.318 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.14 -105.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.33 1.452 . . . . 0.0 110.393 173.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.04 -79.47 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.742 3.617 . . . . 0.0 114.825 -172.201 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 -27.74 14.5 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.653 1.121 . . . . 0.0 113.475 170.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.76 -22.48 58.04 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 113.06 172.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.82 -55.1 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 126.043 1.737 . . . . 0.0 107.705 -177.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.5 -14.37 28.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.47 1.508 . . . . 0.0 112.257 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.11 34.11 1.54 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.933 1.693 . . . . 0.0 110.32 172.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.32 2.88 1.38 Allowed Glycine 0 CA--C 1.539 1.581 0 O-C-N 121.121 -0.987 . . . . 0.0 115.469 178.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.66 37.37 2.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.788 2.035 . . . . 0.0 109.804 172.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.86 151.25 21.99 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.01 -38.77 1.78 Allowed Glycine 0 C--N 1.337 0.638 0 C-N-CA 128.429 2.919 . . . . 0.0 110.606 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 ttm -60.32 -33.72 72.79 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.954 2.902 . . . . 0.0 111.458 -177.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.51 -42.69 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 124.019 0.928 . . . . 0.0 110.604 -178.22 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.88 -24.19 2.43 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -159.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.201 0 C-N-CA 125.16 1.362 . . . . 0.0 112.439 -171.057 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.1 -26.83 40.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -53.89 -48.76 69.77 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 124.834 1.254 . . . . 0.0 110.054 176.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -9.54 39.51 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.458 1.504 . . . . 0.0 114.379 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.37 -24.51 23.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.355 1.577 . . . . 0.0 112.05 170.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.54 -95.5 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 C-N-CA 126.476 1.91 . . . . 0.0 111.437 178.409 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.39 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 129.842 3.257 . . . . 0.0 113.321 -167.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.35 -29.94 7.6 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.77 1.176 . . . . 0.0 113.968 174.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.52 -13.6 42.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 120.183 1.992 . . . . 0.0 112.382 176.02 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 -54.51 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 127.825 2.45 . . . . 0.0 107.912 178.462 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -69.33 -10.83 59.64 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.08 2.152 . . . . 0.0 112.362 -174.393 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -127.66 -44.85 1.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.692 1.197 . . . . 0.0 109.17 166.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.45 102.5 2.29 Favored Glycine 0 C--N 1.341 0.847 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 171.584 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.66 -35.74 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 129.808 3.243 . . . . 0.0 116.56 178.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 54.83 169.27 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 130.258 3.423 . . . . 0.0 114.911 178.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.01 -45.41 2.76 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 127.89 2.662 . . . . 0.0 109.624 -170.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.0 ttp -67.66 -33.93 75.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 130.704 3.601 . . . . 0.0 111.977 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.63 -45.62 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.95 1.3 . . . . 0.0 107.526 175.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.21 -28.82 68.39 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.789 2.035 . . . . 0.0 111.793 -173.167 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 C-N-CA 124.553 1.073 . . . . 0.0 110.743 178.023 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.7 -23.16 27.11 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -169.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.7 -45.29 70.36 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.711 1.205 . . . . 0.0 110.318 175.001 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.25 -12.66 39.26 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.416 1.484 . . . . 0.0 114.339 178.259 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.92 24.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.265 1.532 . . . . 0.0 112.459 172.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.2 -98.03 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.218 1.807 . . . . 0.0 110.379 175.666 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.13 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 130.254 3.422 . . . . 0.0 114.329 -169.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.83 -20.76 14.08 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 120.153 1.342 . . . . 0.0 113.833 173.488 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.84 -18.83 61.49 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.348 -1.677 . . . . 0.0 112.874 170.084 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -118.33 -61.37 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 127.337 2.255 . . . . 0.0 107.756 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.31 -14.43 39.23 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.032 2.133 . . . . 0.0 112.253 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.68 12.97 4.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.914 0.885 . . . . 0.0 110.042 171.581 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.35 23.36 18.32 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.602 -1.11 . . . . 0.0 114.672 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.68 10.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.409 1.484 . . . . 0.0 113.625 -170.372 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.04 149.94 14.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.121 0.962 . . . . 0.0 111.23 178.087 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.29 -39.01 2.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 126.713 2.101 . . . . 0.0 109.893 -173.059 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -34.13 65.78 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.171 0.988 . . . . 0.0 110.994 177.445 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.58 -71.53 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.23 -19.8 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 127.637 2.375 . . . . 0.0 113.228 -173.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 CA-C-O 118.017 -1.435 . . . . 0.0 114.213 175.92 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.95 -25.28 42.83 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.463 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -54.0 -48.96 69.89 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.484 1.113 . . . . 0.0 110.215 175.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -7.58 50.82 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.334 1.445 . . . . 0.0 114.295 177.808 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.0 -17.39 27.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.542 1.671 . . . . 0.0 111.737 169.696 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.06 -106.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 125.353 1.461 . . . . 0.0 110.721 174.21 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.54 -81.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 130.166 3.387 . . . . 0.0 114.821 -169.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.85 -31.57 5.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.181 1.372 . . . . 0.0 113.83 169.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.42 -17.48 54.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.11 1.455 . . . . 0.0 113.354 174.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.56 -42.41 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.98 1.712 . . . . 0.0 108.852 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.43 -12.08 60.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.139 0.975 . . . . 0.0 112.375 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.58 -24.35 0.11 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.868 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.81 -63.26 4.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.66 66.55 1.35 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.717 1.207 . . . . 0.0 109.992 -173.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.09 159.8 28.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 122.244 1.021 . . . . 0.0 112.662 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 -38.48 2.25 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 127.579 2.514 . . . . 0.0 110.42 178.319 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.9 ttm -56.85 -33.43 66.79 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 130.003 3.321 . . . . 0.0 112.076 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.455 ' H ' HD12 ' A' ' 18' ' ' ILE . 2.4 mp -54.47 -37.93 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.321 1.048 . . . . 0.0 110.419 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 56.83 166.83 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.175 2.59 . . . . 0.0 113.394 -169.269 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 C-N-CA 126.387 1.946 . . . . 0.0 113.151 177.692 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.82 -22.64 25.93 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -169.518 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -53.84 -45.17 70.81 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 124.978 1.311 . . . . 0.0 110.497 175.536 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.6 -10.4 49.24 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.101 -1.408 . . . . 0.0 114.289 178.193 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.48 -16.22 27.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.313 1.557 . . . . 0.0 112.181 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.06 -104.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 125.44 1.496 . . . . 0.0 110.974 177.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -78.24 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 130.684 3.594 . . . . 0.0 115.561 -169.623 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.38 -32.45 3.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.457 1.503 . . . . 0.0 113.227 167.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.22 -18.27 60.65 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.198 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.76 -36.77 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.119 1.368 . . . . 0.0 108.625 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.69 -22.27 66.08 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.771 175.385 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -156.89 -19.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 163.734 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.08 -55.55 4.97 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 119.858 1.208 . . . . 0.0 110.957 -175.034 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.84 92.27 3.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.838 1.655 . . . . 0.0 107.03 175.113 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.1 164.87 26.05 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.676 0.751 . . . . 0.0 110.562 173.276 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.75 -36.24 2.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.513 2.006 . . . . 0.0 110.775 -177.233 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -33.59 52.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 129.36 3.064 . . . . 0.0 112.177 177.173 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.643 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.3 mp -47.61 -36.94 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 127.301 2.24 . . . . 0.0 111.623 172.878 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 56.34 -159.54 0.22 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.921 1.288 . . . . 0.0 110.155 -167.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.668 1.128 . . . . 0.0 110.871 160.987 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.65 -23.93 19.39 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.164 1.386 . . . . 0.0 114.723 -169.547 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -53.83 -44.2 70.06 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 125.226 1.41 . . . . 0.0 110.552 176.151 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.17 45.99 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 114.109 -1.405 . . . . 0.0 114.303 177.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.4 -16.61 27.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.403 1.602 . . . . 0.0 112.42 171.801 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -99.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 C-N-CA 125.075 1.35 . . . . 0.0 110.717 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.36 -75.98 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 131.304 3.842 . . . . 0.0 115.539 -170.05 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.41 -31.88 3.62 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.083 1.325 . . . . 0.0 112.989 167.641 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.44 -24.56 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 175.291 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.02 -37.67 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 125.148 1.379 . . . . 0.0 108.974 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.96 -25.46 67.88 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.615 176.435 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -157.2 -29.05 0.09 Allowed 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 175.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.52 -63.26 0.35 Allowed Glycine 0 C--N 1.336 0.581 0 N-CA-C 108.656 -1.778 . . . . 0.0 108.656 -168.084 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.99 99.54 3.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.016 1.326 . . . . 0.0 107.457 170.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.9 pp20? -73.59 157.76 36.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.29 0.636 . . . . 0.0 109.777 170.461 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.78 -34.01 2.57 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.636 1.589 . . . . 0.0 111.419 173.821 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.412 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.3 ttp -65.84 -34.05 77.26 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 129.042 2.937 . . . . 0.0 111.286 178.643 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.34 -59.39 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.911 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -157.23 164.68 37.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 128.894 2.878 . . . . 0.0 105.878 162.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 C-N-CA 125.878 1.704 . . . . 0.0 113.905 177.464 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.35 -25.05 32.7 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -169.256 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.83 -46.05 71.04 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 125.054 1.342 . . . . 0.0 110.378 176.498 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.84 -11.47 54.38 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.366 1.46 . . . . 0.0 114.281 178.843 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -18.47 28.23 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.391 1.595 . . . . 0.0 111.974 171.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.252 2.5 pt -116.3 -104.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 125.674 1.59 . . . . 0.0 111.196 179.092 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -80.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.374 3.47 . . . . 0.0 114.844 -170.062 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.41 -29.69 7.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.922 1.249 . . . . 0.0 113.602 171.014 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.36 -14.02 45.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.518 1.127 . . . . 0.0 113.424 174.551 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.05 -39.73 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 126.219 1.808 . . . . 0.0 109.123 -178.489 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.41 -21.97 66.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.707 176.288 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -144.76 -49.0 0.25 Allowed 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.935 0.894 . . . . 0.0 112.166 168.527 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.04 11.58 25.75 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.188 -1.34 . . . . 0.0 114.356 -174.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 94.1 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 129.875 3.27 . . . . 0.0 108.759 -176.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -62.12 153.06 31.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.77 2.028 . . . . 0.0 111.002 -173.251 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.64 -33.6 4.54 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 126.129 1.823 . . . . 0.0 111.067 -176.658 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.9 ttm -76.04 -34.03 59.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.308 1.443 . . . . 0.0 111.487 171.714 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.5 mm -75.22 -41.53 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.641 1.176 . . . . 0.0 109.104 -175.848 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.24 169.59 10.16 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 128.773 2.829 . . . . 0.0 111.848 -171.158 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.567 1.08 . . . . 0.0 111.974 175.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.34 -22.87 20.98 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -170.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.73 -43.99 69.55 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.222 1.409 . . . . 0.0 110.753 175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -14.8 36.59 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 114.052 -1.431 . . . . 0.0 114.196 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.42 -16.72 28.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.26 1.53 . . . . 0.0 112.631 173.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HB ' HD13 ' A' ' 10' ' ' ILE . 2.4 pt -116.09 -92.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 125.992 1.717 . . . . 0.0 110.777 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 24.38 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.331 3.053 . . . . 0.0 113.344 -167.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.31 -29.99 3.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.693 1.615 . . . . 0.0 115.437 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -67.41 -18.03 64.95 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.495 2.148 . . . . 0.0 113.448 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 6' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.463 0.175 0 C-N-CA 126.522 1.929 . . . . 0.0 107.609 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.63 -27.52 50.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -167.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.93 -49.46 68.62 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.206 1.002 . . . . 0.0 110.19 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.22 -7.1 23.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.815 1.674 . . . . 0.0 114.402 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.33 -20.15 18.04 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.169 1.485 . . . . 0.0 112.362 170.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.37 -95.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 126.108 1.763 . . . . 0.0 111.329 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.33 -84.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 130.289 3.436 . . . . 0.0 113.895 -168.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.55 -30.4 8.42 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.906 1.241 . . . . 0.0 113.549 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.87 -10.45 13.36 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.15 1.475 . . . . 0.0 114.104 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.449 -0.522 0 C-N-CA 126.242 1.817 . . . . 0.0 107.157 -176.403 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.307 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.12 -25.81 14.46 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.366 1.467 . . . . 0.0 114.494 -172.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -53.92 -49.29 68.98 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.965 1.306 . . . . 0.0 110.763 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.53 -26.22 64.22 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 114.593 -1.185 . . . . 0.0 113.253 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.74 74.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.374 1.087 . . . . 0.0 110.231 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 pt -103.59 -103.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.194 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.157 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.13 -82.19 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 129.981 3.312 . . . . 0.0 114.407 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.3 -35.78 1.25 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.338 1.446 . . . . 0.0 113.095 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -47.94 -56.36 7.79 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.528 1.164 . . . . 0.0 111.895 170.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 CA--C 1.534 0.365 0 C-N-CA 125.74 1.616 . . . . 0.0 109.932 -178.685 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.41 -25.58 36.69 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -48.26 69.66 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.711 1.204 . . . . 0.0 110.301 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.83 -9.71 47.31 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.59 1.567 . . . . 0.0 114.234 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.17 -18.31 23.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.425 1.613 . . . . 0.0 112.048 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.24 -105.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.224 0 C-N-CA 125.193 1.397 . . . . 0.0 110.73 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.86 -77.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 130.905 3.682 . . . . 0.0 115.224 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -27.21 25.91 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.207 0.908 . . . . 0.0 113.174 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -56.86 -30.51 63.91 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 1.201 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.45 -0.466 0 C-N-CA 125.032 1.333 . . . . 0.0 108.241 -179.398 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.98 -23.18 17.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.255 1.422 . . . . 0.0 114.428 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -53.5 -44.29 68.96 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.551 1.54 . . . . 0.0 110.248 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.07 -14.52 46.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.459 1.504 . . . . 0.0 114.232 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.28 -22.6 25.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.62 -92.28 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.888 1.675 . . . . 0.0 111.562 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.53 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 130.883 3.673 . . . . 0.0 114.257 -167.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.03 -24.2 13.86 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.702 1.137 . . . . 0.0 113.71 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.07 -28.87 66.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.471 1.635 . . . . 0.0 112.559 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 126.038 1.735 . . . . 0.0 107.8 179.11 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.5 -22.8 22.7 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -53.74 -45.1 70.43 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.199 1.4 . . . . 0.0 110.362 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.0 -11.4 51.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.279 1.419 . . . . 0.0 114.226 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.89 -16.76 26.21 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.352 1.576 . . . . 0.0 112.25 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -104.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.185 0 C-N-CA 125.236 1.414 . . . . 0.0 110.705 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.04 -77.35 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.078 3.751 . . . . 0.0 115.3 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.8 -32.87 3.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.176 1.37 . . . . 0.0 112.996 168.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -60.51 -22.99 64.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.452 -0.35 0 C-N-CA 125.281 1.432 . . . . 0.0 108.971 -178.354 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.49 -24.13 29.72 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -46.84 71.02 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.896 1.278 . . . . 0.0 110.245 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.66 -11.63 49.77 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.32 1.438 . . . . 0.0 114.298 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.31 -18.35 24.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.305 1.552 . . . . 0.0 112.213 171.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -104.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.821 1.648 . . . . 0.0 110.425 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.05 -80.18 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 130.629 3.572 . . . . 0.0 114.707 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -29.95 4.22 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.186 1.374 . . . . 0.0 113.465 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.69 -17.29 62.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.57 1.185 . . . . 0.0 113.983 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 CA--C 1.531 0.233 0 C-N-CA 126.033 1.733 . . . . 0.0 108.825 -177.34 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.89 -23.31 30.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.85 -47.5 70.91 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.583 1.153 . . . . 0.0 110.002 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -6.72 30.38 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.817 1.675 . . . . 0.0 114.516 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 -17.36 20.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.336 1.568 . . . . 0.0 112.206 170.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.12 -105.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.877 1.671 . . . . 0.0 110.346 173.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.22 -82.35 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.159 3.383 . . . . 0.0 114.447 -171.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -19.46 10.84 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.865 1.222 . . . . 0.0 114.668 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -66.64 -14.87 62.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.34 1.57 . . . . 0.0 113.421 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 126.43 1.892 . . . . 0.0 108.443 -176.511 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.9 pt? -52.69 -26.77 14.85 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -170.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.68 -46.4 70.65 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 124.899 1.28 . . . . 0.0 110.39 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.96 -10.15 49.98 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 114.398 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.24 -16.19 26.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.435 1.618 . . . . 0.0 112.137 171.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -115.83 -104.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.521 1.529 . . . . 0.0 110.088 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.63 -79.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 130.668 3.587 . . . . 0.0 114.774 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.26 -33.34 7.63 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.87 1.224 . . . . 0.0 113.252 169.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -20.29 25.22 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.559 1.179 . . . . 0.0 113.435 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.448 -0.529 0 C-N-CA 126.025 1.73 . . . . 0.0 108.296 -178.483 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.33 -34.54 47.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.019 1.328 . . . . 0.0 114.456 -170.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.17 70.25 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.909 1.284 . . . . 0.0 110.608 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -11.8 52.67 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.59 1.567 . . . . 0.0 114.324 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.59 25.52 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.477 1.638 . . . . 0.0 112.065 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.17 -105.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 125.825 1.65 . . . . 0.0 110.77 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.75 -79.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 130.66 3.584 . . . . 0.0 114.844 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -30.18 4.34 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.257 1.408 . . . . 0.0 113.572 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -62.61 -26.19 68.48 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.594 1.197 . . . . 0.0 113.537 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 125.295 1.438 . . . . 0.0 108.918 -178.217 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.03 -23.32 19.19 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -45.86 70.67 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 125.099 1.36 . . . . 0.0 110.323 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.76 -11.98 51.69 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.034 -1.439 . . . . 0.0 114.31 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.91 -17.92 25.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.268 1.534 . . . . 0.0 112.187 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.16 -105.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 125.115 1.366 . . . . 0.0 110.313 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.3 -78.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 130.848 3.659 . . . . 0.0 114.937 -170.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.12 -30.64 2.71 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.453 1.501 . . . . 0.0 113.557 168.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -57.39 -41.03 79.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.827 1.251 . . . . 0.0 112.622 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 124.695 1.198 . . . . 0.0 109.2 -178.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.86 -25.34 41.76 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -53.8 -48.82 69.46 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.522 1.129 . . . . 0.0 110.222 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 -9.23 52.01 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.43 24.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.493 1.646 . . . . 0.0 111.74 169.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.38 -105.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.18 1.392 . . . . 0.0 110.688 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.78 -78.11 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.802 3.641 . . . . 0.0 115.295 -168.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -31.67 5.44 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.582 1.087 . . . . 0.0 112.255 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.36 -34.78 69.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.018 -1.284 . . . . 0.0 113.721 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.451 -0.381 0 C-N-CA 124.098 0.959 . . . . 0.0 109.261 179.511 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.78 -22.61 25.23 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -53.62 -45.8 70.25 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.839 1.256 . . . . 0.0 110.183 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.68 -12.99 43.88 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.368 1.461 . . . . 0.0 114.372 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.14 -20.37 25.72 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.358 1.579 . . . . 0.0 112.204 171.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.42 -97.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 126.54 1.936 . . . . 0.0 110.775 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.68 -86.65 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.567 3.147 . . . . 0.0 113.302 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -28.24 10.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.176 1.37 . . . . 0.0 114.817 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 10' ' ' ILE . 53.6 m-85 -69.27 -10.68 58.96 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.371 2.085 . . . . 0.0 113.366 174.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 9' ' ' PHE . 2.0 mp . . . . . 0 C--O 1.227 -0.122 0 C-N-CA 126.569 1.948 . . . . 0.0 106.965 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -23.92 22.54 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.12 1.368 . . . . 0.0 114.533 -170.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.76 -47.26 70.88 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 125.063 1.345 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.02 -9.43 40.76 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.593 1.568 . . . . 0.0 114.422 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.19 -24.66 24.38 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.449 1.624 . . . . 0.0 112.046 170.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pt -116.51 -96.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 C-N-CA 126.667 1.987 . . . . 0.0 111.314 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.51 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 130.215 3.406 . . . . 0.0 114.324 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.37 -27.57 11.94 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-N 119.901 1.228 . . . . 0.0 113.507 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.33 -12.0 8.02 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.384 -1.657 . . . . 0.0 113.874 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 127.636 2.374 . . . . 0.0 109.275 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.15 -23.25 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -53.73 -44.62 70.06 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.899 1.279 . . . . 0.0 110.79 175.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 -11.69 43.33 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 113.881 -1.509 . . . . 0.0 114.218 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.6 -15.2 27.18 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.216 1.508 . . . . 0.0 112.425 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -102.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 125.354 1.462 . . . . 0.0 110.879 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.9 -77.4 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.705 3.602 . . . . 0.0 115.362 -168.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.55 -28.78 5.17 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.31 1.433 . . . . 0.0 113.633 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.42 -25.09 67.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.346 1.073 . . . . 0.0 113.535 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.542 1.537 . . . . 0.0 108.709 -179.098 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.14 -23.44 47.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -168.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -53.95 -51.17 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 124.041 0.936 . . . . 0.0 109.849 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.75 -5.44 31.3 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.405 1.478 . . . . 0.0 114.35 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.33 -13.08 26.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.414 1.607 . . . . 0.0 112.257 170.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.47 -94.38 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 C-N-CA 126.23 1.812 . . . . 0.0 111.497 168.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.09 -84.98 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 130.235 3.414 . . . . 0.0 113.65 -168.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.41 -35.49 10.24 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.603 1.097 . . . . 0.0 114.045 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -66.43 -12.61 58.03 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.188 1.994 . . . . 0.0 113.496 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 125.751 1.621 . . . . 0.0 107.496 175.173 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.05 -24.8 26.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -170.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.72 -48.17 69.87 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 124.719 1.208 . . . . 0.0 110.15 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.46 -14.32 48.5 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.202 1.382 . . . . 0.0 114.226 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.3 -23.37 26.33 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.167 1.483 . . . . 0.0 112.161 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -94.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 126.009 1.724 . . . . 0.0 110.837 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.76 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 129.991 3.316 . . . . 0.0 113.037 -166.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.25 -26.64 2.37 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.861 1.696 . . . . 0.0 114.976 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.446 1.623 . . . . 0.0 113.208 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.454 -0.235 0 C-N-CA 127.813 2.445 . . . . 0.0 107.784 -174.519 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.71 -23.78 30.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.42 70.0 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.652 1.181 . . . . 0.0 110.076 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -9.48 47.51 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.43 1.49 . . . . 0.0 114.36 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.11 -19.93 23.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.536 1.668 . . . . 0.0 111.999 170.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.31 -106.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.294 1.438 . . . . 0.0 110.335 173.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.05 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 130.924 3.69 . . . . 0.0 114.829 -172.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.92 8.02 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.8 1.191 . . . . 0.0 113.559 169.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.01 -22.1 48.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.377 1.589 . . . . 0.0 112.989 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.304 0 C-N-CA 126.173 1.789 . . . . 0.0 108.646 -175.798 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.41 -24.78 21.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.204 1.402 . . . . 0.0 114.691 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -53.8 -47.14 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.949 1.3 . . . . 0.0 110.115 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.08 -11.43 51.54 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.505 1.526 . . . . 0.0 114.33 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.58 -23.57 25.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.366 1.583 . . . . 0.0 111.85 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.53 -100.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 126.111 1.764 . . . . 0.0 111.341 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.67 -79.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 131.076 3.75 . . . . 0.0 114.898 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.95 -37.63 3.02 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.85 1.214 . . . . 0.0 112.472 167.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.93 -14.54 16.21 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.451 -0.389 0 C-N-CA 126.097 1.759 . . . . 0.0 109.127 179.888 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.57 -24.13 30.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -53.83 -45.78 70.95 Favored 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 124.839 1.255 . . . . 0.0 110.449 176.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.78 54.5 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.054 -1.43 . . . . 0.0 114.285 178.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.7 -17.72 26.27 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.35 1.575 . . . . 0.0 112.036 171.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -104.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.233 1.413 . . . . 0.0 110.47 176.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.94 -76.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.807 3.643 . . . . 0.0 115.466 -170.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.64 -27.8 9.61 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.648 1.118 . . . . 0.0 113.335 170.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -61.98 -24.98 67.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.353 1.061 . . . . 0.0 113.416 173.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.453 -0.302 0 C-N-CA 124.844 1.258 . . . . 0.0 108.631 -178.742 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.08 -28.27 38.06 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -169.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.81 -47.96 70.35 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.891 1.276 . . . . 0.0 110.412 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.38 -10.15 46.83 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.681 1.61 . . . . 0.0 114.292 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.92 -23.52 21.56 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.232 1.516 . . . . 0.0 112.109 170.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.58 -103.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 125.944 1.698 . . . . 0.0 111.562 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.87 -81.08 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 130.501 3.521 . . . . 0.0 114.729 -172.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -29.53 9.68 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.641 1.115 . . . . 0.0 113.156 170.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.86 -23.57 63.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.88 1.34 . . . . 0.0 113.303 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 CA--C 1.529 0.158 0 C-N-CA 126.124 1.77 . . . . 0.0 109.082 -176.667 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.71 -23.82 31.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.65 -47.9 69.91 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 124.822 1.249 . . . . 0.0 110.127 176.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.24 -10.61 53.21 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 114.01 -1.45 . . . . 0.0 114.286 178.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.14 -18.83 26.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.488 1.644 . . . . 0.0 111.817 170.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.24 -105.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 125.527 1.531 . . . . 0.0 110.71 175.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.41 -79.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 130.513 3.525 . . . . 0.0 114.851 -169.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.1 -28.96 4.45 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.246 1.403 . . . . 0.0 113.882 170.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.46 -23.18 67.29 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 1.244 . . . . 0.0 113.486 174.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.512 1.525 . . . . 0.0 108.785 -177.352 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.58 -34.17 24.78 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.501 1.52 . . . . 0.0 114.769 -170.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.76 -44.59 70.12 Favored 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 125.487 1.515 . . . . 0.0 110.996 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.57 -15.41 53.27 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 113.803 -1.544 . . . . 0.0 114.221 179.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.47 27.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.312 1.556 . . . . 0.0 112.335 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.29 -99.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.976 1.31 . . . . 0.0 111.058 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.64 -78.46 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 130.81 3.644 . . . . 0.0 115.101 -168.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.09 -29.81 2.37 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.544 1.545 . . . . 0.0 113.524 169.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.74 -44.15 90.43 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.532 1.133 . . . . 0.0 112.706 172.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.456 -0.147 0 C-N-CA 124.052 0.941 . . . . 0.0 109.427 179.858 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.06 -23.82 35.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -53.68 -49.04 68.87 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.514 1.126 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -9.22 44.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.342 1.449 . . . . 0.0 114.418 178.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.89 22.92 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.429 1.614 . . . . 0.0 111.882 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -106.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.876 1.67 . . . . 0.0 110.473 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.13 -82.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 130.164 3.386 . . . . 0.0 114.278 -172.194 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.06 6.24 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.169 1.366 . . . . 0.0 114.127 170.558 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.55 -22.42 63.62 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.318 1.559 . . . . 0.0 113.253 172.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 126.421 1.888 . . . . 0.0 108.645 -176.57 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.69 -25.0 52.91 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -167.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.71 -48.99 69.05 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 124.549 1.139 . . . . 0.0 110.198 176.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.68 45.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.423 1.487 . . . . 0.0 114.249 178.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.14 -17.84 23.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.336 1.568 . . . . 0.0 112.111 171.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.14 -105.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.33 1.452 . . . . 0.0 110.393 173.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.04 -79.47 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.742 3.617 . . . . 0.0 114.825 -172.201 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 -27.74 14.5 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.653 1.121 . . . . 0.0 113.475 170.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.76 -22.48 58.04 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 113.06 172.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 126.043 1.737 . . . . 0.0 107.705 -177.893 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.1 -26.83 40.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -53.89 -48.76 69.77 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 124.834 1.254 . . . . 0.0 110.054 176.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -9.54 39.51 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.458 1.504 . . . . 0.0 114.379 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.37 -24.51 23.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.355 1.577 . . . . 0.0 112.05 170.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.54 -95.5 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 C-N-CA 126.476 1.91 . . . . 0.0 111.437 178.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.39 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 129.842 3.257 . . . . 0.0 113.321 -167.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.35 -29.94 7.6 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.77 1.176 . . . . 0.0 113.968 174.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.52 -13.6 42.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 120.183 1.992 . . . . 0.0 112.382 176.02 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 127.825 2.45 . . . . 0.0 107.912 178.462 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.7 -23.16 27.11 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -169.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.7 -45.29 70.36 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.711 1.205 . . . . 0.0 110.318 175.001 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.25 -12.66 39.26 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.416 1.484 . . . . 0.0 114.339 178.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.92 24.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.265 1.532 . . . . 0.0 112.459 172.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.2 -98.03 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.218 1.807 . . . . 0.0 110.379 175.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.13 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 130.254 3.422 . . . . 0.0 114.329 -169.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.83 -20.76 14.08 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 120.153 1.342 . . . . 0.0 113.833 173.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.84 -18.83 61.49 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.348 -1.677 . . . . 0.0 112.874 170.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 127.337 2.255 . . . . 0.0 107.756 -178.152 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.95 -25.28 42.83 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -54.0 -48.96 69.89 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.484 1.113 . . . . 0.0 110.215 175.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -7.58 50.82 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.334 1.445 . . . . 0.0 114.295 177.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.0 -17.39 27.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.542 1.671 . . . . 0.0 111.737 169.696 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.06 -106.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 125.353 1.461 . . . . 0.0 110.721 174.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.54 -81.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 130.166 3.387 . . . . 0.0 114.821 -169.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.85 -31.57 5.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.181 1.372 . . . . 0.0 113.83 169.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.42 -17.48 54.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.11 1.455 . . . . 0.0 113.354 174.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.452 -0.348 0 C-N-CA 125.98 1.712 . . . . 0.0 108.852 -178.373 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.82 -22.64 25.93 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -169.518 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -53.84 -45.17 70.81 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 124.978 1.311 . . . . 0.0 110.497 175.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.6 -10.4 49.24 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.101 -1.408 . . . . 0.0 114.289 178.193 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.48 -16.22 27.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.313 1.557 . . . . 0.0 112.181 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.06 -104.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 125.44 1.496 . . . . 0.0 110.974 177.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -78.24 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 130.684 3.594 . . . . 0.0 115.561 -169.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.38 -32.45 3.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.457 1.503 . . . . 0.0 113.227 167.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.22 -18.27 60.65 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.198 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 125.119 1.368 . . . . 0.0 108.625 179.749 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.65 -23.93 19.39 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.164 1.386 . . . . 0.0 114.723 -169.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -53.83 -44.2 70.06 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 125.226 1.41 . . . . 0.0 110.552 176.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.17 45.99 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 114.109 -1.405 . . . . 0.0 114.303 177.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.4 -16.61 27.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.403 1.602 . . . . 0.0 112.42 171.801 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -99.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 C-N-CA 125.075 1.35 . . . . 0.0 110.717 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.36 -75.98 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 131.304 3.842 . . . . 0.0 115.539 -170.05 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.41 -31.88 3.62 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.083 1.325 . . . . 0.0 112.989 167.641 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.44 -24.56 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 175.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 125.148 1.379 . . . . 0.0 108.974 179.498 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.35 -25.05 32.7 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -169.256 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.83 -46.05 71.04 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 125.054 1.342 . . . . 0.0 110.378 176.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.84 -11.47 54.38 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.366 1.46 . . . . 0.0 114.281 178.843 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -18.47 28.23 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.391 1.595 . . . . 0.0 111.974 171.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.252 2.5 pt -116.3 -104.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 125.674 1.59 . . . . 0.0 111.196 179.092 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -80.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.374 3.47 . . . . 0.0 114.844 -170.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.41 -29.69 7.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.922 1.249 . . . . 0.0 113.602 171.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.36 -14.02 45.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.518 1.127 . . . . 0.0 113.424 174.551 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 126.219 1.808 . . . . 0.0 109.123 -178.489 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.295 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.34 -22.87 20.98 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -170.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.73 -43.99 69.55 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.222 1.409 . . . . 0.0 110.753 175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -14.8 36.59 Favored Glycine 0 CA--C 1.534 1.265 0 CA-C-N 114.052 -1.431 . . . . 0.0 114.196 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.42 -16.72 28.51 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.26 1.53 . . . . 0.0 112.631 173.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' HB ' HD13 ' A' ' 10' ' ' ILE . 2.4 pt -116.09 -92.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 125.992 1.717 . . . . 0.0 110.777 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 24.38 -86.83 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.331 3.053 . . . . 0.0 113.344 -167.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.31 -29.99 3.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.693 1.615 . . . . 0.0 115.437 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -67.41 -18.03 64.95 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.495 2.148 . . . . 0.0 113.448 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.42 HD13 ' HB ' ' A' ' 6' ' ' ILE . 1.7 mp -111.68 -45.87 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 126.522 1.929 . . . . 0.0 107.609 -176.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.82 -18.3 65.24 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.477 1.511 . . . . 0.0 112.011 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -147.41 -59.75 0.27 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.052 0.941 . . . . 0.0 109.543 167.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.94 28.75 0.21 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.702 1.144 . . . . 0.0 112.363 -166.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.41 67.28 1.03 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.899 2.08 . . . . 0.0 111.759 -168.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.37 145.11 14.96 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.118 163.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 -35.33 4.02 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 125.958 1.742 . . . . 0.0 110.73 -174.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 ttp -70.93 -34.39 71.46 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.687 1.195 . . . . 0.0 110.667 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.71 -55.72 12.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 170.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.12 -19.42 56.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.686 1.594 . . . . 0.0 113.157 -159.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.106 0 C-N-CA 125.809 1.671 . . . . 0.0 115.139 -170.495 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 pp -55.63 -27.52 50.22 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -167.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.93 -49.46 68.62 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 124.206 1.002 . . . . 0.0 110.19 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.22 -7.1 23.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.815 1.674 . . . . 0.0 114.402 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.33 -20.15 18.04 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.169 1.485 . . . . 0.0 112.362 170.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 pt -116.37 -95.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.339 0.15 0 C-N-CA 126.108 1.763 . . . . 0.0 111.329 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.33 -84.82 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 130.289 3.436 . . . . 0.0 113.895 -168.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.55 -30.4 8.42 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.906 1.241 . . . . 0.0 113.549 171.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.87 -10.45 13.36 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.15 1.475 . . . . 0.0 114.104 173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mt -123.92 -54.89 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.242 1.817 . . . . 0.0 107.157 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.67 -15.25 57.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.476 1.91 . . . . 0.0 112.39 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -139.0 -33.72 0.63 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.237 1.015 . . . . 0.0 111.591 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.84 -64.66 4.2 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 124.924 1.25 . . . . 0.0 111.204 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.98 61.21 0.77 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.556 1.143 . . . . 0.0 109.713 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.79 137.36 58.24 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 122.02 0.914 . . . . 0.0 111.489 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.61 -18.98 3.38 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 126.009 1.766 . . . . 0.0 113.018 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.15 -34.04 59.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.728 1.611 . . . . 0.0 111.752 168.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 mm -55.61 -54.39 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 124.887 1.275 . . . . 0.0 109.198 -175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -137.76 97.34 3.41 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 126.895 2.078 . . . . 0.0 106.38 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.613 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 176.632 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.307 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 pp -53.12 -25.81 14.46 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.366 1.467 . . . . 0.0 114.494 -172.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -53.92 -49.29 68.98 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.965 1.306 . . . . 0.0 110.763 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.53 -26.22 64.22 Favored Glycine 0 CA--C 1.534 1.241 0 CA-C-N 114.593 -1.185 . . . . 0.0 113.253 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.74 74.03 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.374 1.087 . . . . 0.0 110.231 174.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 pt -103.59 -103.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.194 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.157 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.13 -82.19 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 129.981 3.312 . . . . 0.0 114.407 -170.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.3 -35.78 1.25 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.338 1.446 . . . . 0.0 113.095 168.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -47.94 -56.36 7.79 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.528 1.164 . . . . 0.0 111.895 170.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.31 -32.2 57.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.74 1.616 . . . . 0.0 109.932 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -69.72 -0.03 6.34 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.158 0.983 . . . . 0.0 112.333 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 69.63 29.47 4.22 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 127.966 2.506 . . . . 0.0 108.378 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.92 -1.89 82.52 Favored Glycine 0 N--CA 1.433 -1.544 0 C-N-CA 129.359 3.361 . . . . 0.0 113.409 -172.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 96.49 76.54 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 131.291 3.836 . . . . 0.0 107.485 -162.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.1 138.24 20.33 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.41 0.624 . . . . 0.0 110.679 170.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.73 -38.66 3.07 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 126.371 1.939 . . . . 0.0 110.846 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.2 ttp -75.45 -34.24 60.94 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 124.924 1.29 . . . . 0.0 109.871 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.74 -50.51 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.91 -21.1 64.46 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.445 1.898 . . . . 0.0 111.786 -176.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.204 0 C-N-CA 125.647 1.594 . . . . 0.0 113.903 173.074 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.254 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.41 -25.58 36.69 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -168.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.68 -48.26 69.66 Favored 'General case' 0 C--O 1.227 -0.089 0 C-N-CA 124.711 1.204 . . . . 0.0 110.301 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.83 -9.71 47.31 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.59 1.567 . . . . 0.0 114.234 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.17 -18.31 23.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.425 1.613 . . . . 0.0 112.048 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.24 -105.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.224 0 C-N-CA 125.193 1.397 . . . . 0.0 110.73 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.86 -77.02 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 130.905 3.682 . . . . 0.0 115.224 -169.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -27.21 25.91 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.207 0.908 . . . . 0.0 113.174 171.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -56.86 -30.51 63.91 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 1.201 . . . . 0.0 112.664 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.76 -50.4 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 125.032 1.333 . . . . 0.0 108.241 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.24 -9.94 55.43 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.033 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -156.46 -37.61 0.08 Allowed 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.396 1.078 . . . . 0.0 113.083 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.22 32.12 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.603 -1.109 . . . . 0.0 111.498 -158.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 95.28 108.57 0.02 OUTLIER 'General case' 0 C--N 1.347 0.488 0 C-N-CA 131.644 3.978 . . . . 0.0 109.35 -173.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -60.98 140.28 57.84 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.019 1.328 . . . . 0.0 110.674 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.98 -25.96 1.79 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 125.823 1.678 . . . . 0.0 112.315 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.2 -33.79 73.89 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 127.001 2.12 . . . . 0.0 110.678 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mm -63.04 -63.26 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 123.925 0.89 . . . . 0.0 108.684 175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -163.07 165.82 24.3 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.766 2.427 . . . . 0.0 107.541 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 C-N-CA 125.473 1.511 . . . . 0.0 112.506 174.57 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.98 -23.18 17.99 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.255 1.422 . . . . 0.0 114.428 -171.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -53.5 -44.29 68.96 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.551 1.54 . . . . 0.0 110.248 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.07 -14.52 46.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.459 1.504 . . . . 0.0 114.232 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.28 -22.6 25.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.396 1.598 . . . . 0.0 112.331 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.62 -92.28 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.888 1.675 . . . . 0.0 111.562 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.53 -81.69 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 130.883 3.673 . . . . 0.0 114.257 -167.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.03 -24.2 13.86 Favored Glycine 0 CA--C 1.534 1.268 0 CA-C-N 119.702 1.137 . . . . 0.0 113.71 172.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.07 -28.87 66.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.471 1.635 . . . . 0.0 112.559 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -103.28 -61.26 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 126.038 1.735 . . . . 0.0 107.8 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.68 -15.27 27.08 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.307 1.843 . . . . 0.0 112.537 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.11 9.25 2.76 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.425 0.69 . . . . 0.0 111.184 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 57.35 20.57 37.35 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-O 118.598 -1.112 . . . . 0.0 113.906 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 67.35 112.44 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 128.767 2.827 . . . . 0.0 112.088 -166.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.29 142.05 49.12 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.702 0.763 . . . . 0.0 110.818 174.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.78 -32.16 2.44 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 126.376 1.941 . . . . 0.0 111.097 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -33.95 77.0 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 126.161 1.784 . . . . 0.0 110.267 175.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.0 mm -56.52 -32.5 36.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.102 1.361 . . . . 0.0 111.369 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -102.22 1.49 35.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.408 1.883 . . . . 0.0 112.166 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.794 0 C-N-CA 125.15 1.357 . . . . 0.0 111.371 -175.145 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.5 -22.8 22.7 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -53.74 -45.1 70.43 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 125.199 1.4 . . . . 0.0 110.362 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.0 -11.4 51.13 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 125.279 1.419 . . . . 0.0 114.226 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.89 -16.76 26.21 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.352 1.576 . . . . 0.0 112.25 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -104.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.185 0 C-N-CA 125.236 1.414 . . . . 0.0 110.705 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.04 -77.35 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.078 3.751 . . . . 0.0 115.3 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.8 -32.87 3.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.176 1.37 . . . . 0.0 112.996 168.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -60.51 -22.99 64.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.57 -35.67 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 125.281 1.432 . . . . 0.0 108.971 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -66.05 -24.97 66.84 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.804 -0.617 . . . . 0.0 111.675 174.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.47 -41.19 0.09 Allowed 'General case' 0 C--N 1.346 0.424 0 CA-C-N 119.214 0.915 . . . . 0.0 113.051 172.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.31 -84.01 0.37 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 108.197 -1.961 . . . . 0.0 108.197 -169.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.58 93.22 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.859 1.264 . . . . 0.0 108.405 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.57 161.93 29.25 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 164.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.55 -27.78 1.83 Allowed Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.034 1.302 . . . . 0.0 112.046 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.9 ttp -66.41 -34.13 77.26 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 127.506 2.322 . . . . 0.0 111.709 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.558 HD12 ' H ' ' A' ' 18' ' ' ILE . 3.9 mp -65.72 -47.33 86.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.034 1.334 . . . . 0.0 108.154 175.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.19 -47.25 45.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 127.006 2.122 . . . . 0.0 110.488 -171.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.814 0 C-N-CA 125.655 1.597 . . . . 0.0 110.607 -174.624 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.49 -24.13 29.72 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -46.84 71.02 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.896 1.278 . . . . 0.0 110.245 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.66 -11.63 49.77 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.32 1.438 . . . . 0.0 114.298 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.31 -18.35 24.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.305 1.552 . . . . 0.0 112.213 171.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -104.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 125.821 1.648 . . . . 0.0 110.425 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.05 -80.18 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 130.629 3.572 . . . . 0.0 114.707 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -29.95 4.22 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.186 1.374 . . . . 0.0 113.465 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.69 -17.29 62.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.57 1.185 . . . . 0.0 113.983 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.54 -39.86 2.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 126.033 1.733 . . . . 0.0 108.825 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.02 -19.35 64.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.157 1.383 . . . . 0.0 111.585 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -139.47 -61.86 0.54 Allowed 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.767 1.227 . . . . 0.0 109.621 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.76 -76.39 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 -161.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.45 20.39 0.1 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -41.99 124.34 2.64 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.559 1.527 . . . . 0.0 113.521 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.61 -48.97 0.88 Allowed Glycine 0 CA--C 1.521 0.449 0 C-N-CA 127.458 2.456 . . . . 0.0 110.091 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -33.85 71.21 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 125.538 1.535 . . . . 0.0 110.955 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -69.49 -51.59 40.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.56 -38.57 89.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 127.085 2.154 . . . . 0.0 111.658 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.195 0 C-N-CA 126.082 1.801 . . . . 0.0 114.906 169.555 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.89 -23.31 30.61 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -169.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.85 -47.5 70.91 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.583 1.153 . . . . 0.0 110.002 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.58 -6.72 30.38 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.817 1.675 . . . . 0.0 114.516 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.04 -17.36 20.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.336 1.568 . . . . 0.0 112.206 170.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.12 -105.52 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.877 1.671 . . . . 0.0 110.346 173.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.22 -82.35 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 130.159 3.383 . . . . 0.0 114.447 -171.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -19.46 10.84 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.865 1.222 . . . . 0.0 114.668 171.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -66.64 -14.87 62.99 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.34 1.57 . . . . 0.0 113.421 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -121.71 -46.05 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 126.43 1.892 . . . . 0.0 108.443 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.07 -7.08 43.97 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.192 1.797 . . . . 0.0 111.937 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.54 -51.07 0.25 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.766 1.226 . . . . 0.0 110.381 168.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.11 23.45 5.8 Favored Glycine 0 CA--C 1.535 1.325 0 CA-C-O 117.919 -1.489 . . . . 0.0 112.311 -164.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 96.09 105.18 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 130.592 3.557 . . . . 0.0 108.207 -166.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' MET . 1.4 mp0 -68.61 137.22 54.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.044 0.938 . . . . 0.0 112.505 -162.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.63 -28.68 1.28 Allowed Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.08 1.8 . . . . 0.0 111.662 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.4 ttm -59.18 -33.42 70.92 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 129.332 3.053 . . . . 0.0 110.36 170.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.9 mm -52.42 -35.24 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.32 1.448 . . . . 0.0 111.326 171.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t70 55.51 -148.39 0.49 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.951 2.1 . . . . 0.0 110.866 -174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 C-N-CA 125.456 1.503 . . . . 0.0 111.613 -164.688 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.9 pt? -52.69 -26.77 14.85 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -170.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -53.68 -46.4 70.65 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 124.899 1.28 . . . . 0.0 110.39 176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.96 -10.15 49.98 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 114.398 177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.24 -16.19 26.5 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.435 1.618 . . . . 0.0 112.137 171.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -115.83 -104.54 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.521 1.529 . . . . 0.0 110.088 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.63 -79.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 130.668 3.587 . . . . 0.0 114.774 -171.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.26 -33.34 7.63 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.87 1.224 . . . . 0.0 113.252 169.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.14 -20.29 25.22 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.559 1.179 . . . . 0.0 113.435 174.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.14 -48.15 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 126.025 1.73 . . . . 0.0 108.296 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.41 -17.49 59.36 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.294 1.038 . . . . 0.0 112.578 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.42 24.42 5.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.399 1.879 . . . . 0.0 109.705 171.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.56 30.65 0.36 Allowed Glycine 0 CA--C 1.533 1.157 0 C-N-CA 127.201 2.334 . . . . 0.0 116.508 -169.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.6 65.25 1.49 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 164.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.95 147.53 46.61 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.252 -168.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.89 -40.45 2.44 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 125.399 1.476 . . . . 0.0 110.185 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttm -58.99 -33.61 70.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.424 1.49 . . . . 0.0 111.708 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 mp -53.05 -30.39 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 C-N-CA 127.234 2.214 . . . . 0.0 111.155 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t70 50.92 -93.69 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.086 2.154 . . . . 0.0 112.56 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.846 0 C-N-CA 125.654 1.597 . . . . 0.0 112.003 -177.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -52.33 -34.54 47.66 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 125.019 1.328 . . . . 0.0 114.456 -170.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.17 70.25 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.909 1.284 . . . . 0.0 110.608 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.04 -11.8 52.67 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 125.59 1.567 . . . . 0.0 114.324 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.59 25.52 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.477 1.638 . . . . 0.0 112.065 170.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.17 -105.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 125.825 1.65 . . . . 0.0 110.77 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.75 -79.36 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 130.66 3.584 . . . . 0.0 114.844 -170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.51 -30.18 4.34 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.257 1.408 . . . . 0.0 113.572 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -62.61 -26.19 68.48 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.594 1.197 . . . . 0.0 113.537 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.28 -37.49 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 125.295 1.438 . . . . 0.0 108.918 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -67.32 -22.87 65.59 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.3 0.64 . . . . 0.0 111.616 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -148.46 -59.52 0.24 Allowed 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.569 1.148 . . . . 0.0 110.35 174.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.92 -70.96 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -162.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.57 5.07 0.2 Allowed 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.74 1.755 . . . . 0.0 115.74 -168.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.14 142.47 36.7 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.897 1.681 . . . . 0.0 112.845 -174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.58 -41.67 2.34 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 125.938 1.733 . . . . 0.0 109.999 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -33.4 71.29 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.034 1.734 . . . . 0.0 111.836 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 mp -52.87 -30.82 16.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 126.174 1.789 . . . . 0.0 111.324 173.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.1 t0 48.81 69.34 0.58 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.529 1.932 . . . . 0.0 111.728 -166.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.792 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 174.109 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.03 -23.32 19.19 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -169.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.74 -45.86 70.67 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 125.099 1.36 . . . . 0.0 110.323 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.76 -11.98 51.69 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 114.034 -1.439 . . . . 0.0 114.31 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.91 -17.92 25.62 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.268 1.534 . . . . 0.0 112.187 171.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.16 -105.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 125.115 1.366 . . . . 0.0 110.313 176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.3 -78.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 130.848 3.659 . . . . 0.0 114.937 -170.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.12 -30.64 2.71 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.453 1.501 . . . . 0.0 113.557 168.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -57.39 -41.03 79.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.827 1.251 . . . . 0.0 112.622 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -86.41 -39.24 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.695 1.198 . . . . 0.0 109.2 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -66.03 -22.71 66.45 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.202 0.601 . . . . 0.0 111.565 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.97 -55.57 0.04 OUTLIER 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.575 0.75 . . . . 0.0 112.744 172.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.3 -18.41 0.06 OUTLIER Glycine 0 CA--C 1.534 1.233 0 C-N-CA 126.913 2.197 . . . . 0.0 116.926 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.74 35.41 1.99 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 119.112 1.456 . . . . 0.0 111.204 -169.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -52.93 133.67 37.84 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.623 -0.673 . . . . 0.0 109.216 177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.39 -37.31 3.57 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 126.286 1.898 . . . . 0.0 110.797 -174.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.4 ttp -73.08 -35.13 66.59 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 125.235 1.414 . . . . 0.0 110.254 171.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.98 -48.31 89.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 170.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.04 -28.96 22.29 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.058 1.343 . . . . 0.0 112.098 -161.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.858 0 CA-C-O 118.602 -1.11 . . . . 0.0 115.108 -164.66 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.244 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.86 -25.34 41.76 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -53.8 -48.82 69.46 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.522 1.129 . . . . 0.0 110.222 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.83 -9.23 52.01 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.497 1.522 . . . . 0.0 114.298 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.25 -20.43 24.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.493 1.646 . . . . 0.0 111.74 169.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.38 -105.92 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.18 1.392 . . . . 0.0 110.688 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.78 -78.11 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.802 3.641 . . . . 0.0 115.295 -168.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -31.67 5.44 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.582 1.087 . . . . 0.0 112.255 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -57.36 -34.78 69.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.018 -1.284 . . . . 0.0 113.721 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.04 -36.11 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 C-N-CA 124.098 0.959 . . . . 0.0 109.261 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.9 -26.87 68.5 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.426 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -164.33 -34.05 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 170.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.98 -1.49 3.48 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 118.063 -1.409 . . . . 0.0 113.655 -167.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 88.52 101.7 0.03 OUTLIER 'General case' 0 C--N 1.344 0.348 0 C-N-CA 130.208 3.403 . . . . 0.0 107.809 -169.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 171.46 5.56 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.551 1.167 . . . . 0.0 110.152 164.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.49 -37.12 2.76 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 126.455 1.978 . . . . 0.0 110.188 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 ttm -62.21 -36.84 83.18 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.981 1.712 . . . . 0.0 111.202 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.33 -45.43 14.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.846 1.258 . . . . 0.0 108.567 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.15 -11.38 57.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.805 1.642 . . . . 0.0 113.182 -159.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 C-N-CA 124.743 1.163 . . . . 0.0 111.325 178.772 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.78 -22.61 25.23 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -53.62 -45.8 70.25 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.839 1.256 . . . . 0.0 110.183 174.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.68 -12.99 43.88 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.368 1.461 . . . . 0.0 114.372 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.14 -20.37 25.72 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.358 1.579 . . . . 0.0 112.204 171.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.42 -97.39 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 126.54 1.936 . . . . 0.0 110.775 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.68 -86.65 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.567 3.147 . . . . 0.0 113.302 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -28.24 10.91 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.176 1.37 . . . . 0.0 114.817 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 10' ' ' ILE . 53.6 m-85 -69.27 -10.68 58.96 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 120.371 2.085 . . . . 0.0 113.366 174.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.441 HD12 ' C ' ' A' ' 9' ' ' PHE . 2.0 mp -118.14 -57.04 3.63 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 C-N-CA 126.569 1.948 . . . . 0.0 106.965 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.03 -9.5 39.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.229 2.212 . . . . 0.0 112.259 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -146.43 -7.87 0.52 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.679 1.192 . . . . 0.0 113.105 174.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.47 -53.85 2.8 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 120.241 1.382 . . . . 0.0 111.449 -170.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.27 96.53 2.42 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.617 1.567 . . . . 0.0 107.336 169.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.21 145.41 53.63 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.64 0.734 . . . . 0.0 111.776 -175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.03 -36.83 2.35 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 126.887 2.184 . . . . 0.0 110.694 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.8 ttp -61.11 -33.65 73.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 127.887 2.475 . . . . 0.0 111.558 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mm -61.68 -33.19 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 125.915 1.686 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 43.66 -105.65 0.08 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.692 2.397 . . . . 0.0 110.751 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 CA-C-N 119.925 1.239 . . . . 0.0 111.169 173.278 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.243 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -23.92 22.54 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.12 1.368 . . . . 0.0 114.533 -170.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -53.76 -47.26 70.88 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 125.063 1.345 . . . . 0.0 109.904 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.02 -9.43 40.76 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.593 1.568 . . . . 0.0 114.422 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.19 -24.66 24.38 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.449 1.624 . . . . 0.0 112.046 170.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 pt -116.51 -96.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 C-N-CA 126.667 1.987 . . . . 0.0 111.314 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.51 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 130.215 3.406 . . . . 0.0 114.324 -169.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.37 -27.57 11.94 Favored Glycine 0 CA--C 1.534 1.273 0 CA-C-N 119.901 1.228 . . . . 0.0 113.507 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.33 -12.0 8.02 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.384 -1.657 . . . . 0.0 113.874 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mp -125.09 -48.6 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 127.636 2.374 . . . . 0.0 109.275 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.56 -14.08 62.66 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.329 1.852 . . . . 0.0 112.115 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -113.36 -46.71 3.05 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 159.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.54 113.25 3.8 Favored Glycine 0 C--N 1.337 0.636 0 N-CA-C 106.949 -2.46 . . . . 0.0 106.949 -170.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 31.23 64.29 0.19 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.268 2.627 . . . . 0.0 112.867 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -65.89 153.01 43.16 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.169 0.985 . . . . 0.0 111.798 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.58 -46.17 3.61 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 126.681 2.086 . . . . 0.0 109.347 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 ttp -52.32 -33.31 41.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 129.241 3.016 . . . . 0.0 112.798 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 mp -42.88 -36.08 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 126.841 2.057 . . . . 0.0 111.569 173.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -127.67 156.07 42.93 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.037 0.835 . . . . 0.0 110.923 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.184 0 C-N-CA 125.661 1.601 . . . . 0.0 112.192 169.824 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.309 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.15 -23.25 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -53.73 -44.62 70.06 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.899 1.279 . . . . 0.0 110.79 175.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 -11.69 43.33 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 113.881 -1.509 . . . . 0.0 114.218 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.6 -15.2 27.18 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.216 1.508 . . . . 0.0 112.425 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -102.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.19 0 C-N-CA 125.354 1.462 . . . . 0.0 110.879 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.9 -77.4 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.705 3.602 . . . . 0.0 115.362 -168.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.55 -28.78 5.17 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.31 1.433 . . . . 0.0 113.633 170.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.42 -25.09 67.77 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.346 1.073 . . . . 0.0 113.535 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.81 -38.9 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 125.542 1.537 . . . . 0.0 108.709 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -67.42 -19.7 65.42 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.134 0.574 . . . . 0.0 111.828 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -150.81 -56.89 0.16 Allowed 'General case' 0 C--N 1.342 0.248 0 C-N-CA 124.326 1.05 . . . . 0.0 111.066 172.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.98 -71.83 0.49 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -163.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.11 84.51 0.44 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.795 1.238 . . . . 0.0 108.676 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -74.07 168.36 19.68 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 122.281 1.039 . . . . 0.0 112.224 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.88 -39.22 3.03 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 127.305 2.383 . . . . 0.0 109.732 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.9 ttm -58.47 -34.05 70.45 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 127.138 2.175 . . . . 0.0 111.47 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.581 HD12 ' H ' ' A' ' 18' ' ' ILE . 4.6 mp -51.67 -40.39 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.173 1.389 . . . . 0.0 110.244 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -81.0 65.61 6.2 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 122.232 1.015 . . . . 0.0 110.377 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.785 0 C-N-CA 124.807 1.194 . . . . 0.0 112.463 176.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.14 -23.44 47.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 -168.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -53.95 -51.17 64.69 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 124.041 0.936 . . . . 0.0 109.849 174.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.75 -5.44 31.3 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.405 1.478 . . . . 0.0 114.35 177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.33 -13.08 26.78 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.414 1.607 . . . . 0.0 112.257 170.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.47 -94.38 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 C-N-CA 126.23 1.812 . . . . 0.0 111.497 168.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.09 -84.98 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 130.235 3.414 . . . . 0.0 113.65 -168.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.41 -35.49 10.24 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.603 1.097 . . . . 0.0 114.045 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -66.43 -12.61 58.03 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.188 1.994 . . . . 0.0 113.496 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -105.97 -54.92 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.751 1.621 . . . . 0.0 107.496 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -64.27 -11.87 35.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.949 1.299 . . . . 0.0 113.469 -174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.03 -27.88 0.09 Allowed 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 173.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.93 -69.15 2.95 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -172.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.44 56.52 1.4 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.808 1.643 . . . . 0.0 110.227 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.8 pp20? -74.83 161.03 29.94 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.822 0.82 . . . . 0.0 111.929 -178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 -43.2 2.78 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 127.347 2.403 . . . . 0.0 109.277 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -50.92 -33.43 24.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 130.67 3.588 . . . . 0.0 112.365 -177.118 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.597 HD12 ' H ' ' A' ' 18' ' ' ILE . 5.1 mp -41.36 -37.13 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.046 2.139 . . . . 0.0 112.072 169.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -117.94 148.52 42.1 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 119.464 1.029 . . . . 0.0 110.56 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 C-N-CA 128.078 2.751 . . . . 0.0 115.173 -174.018 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.72 -48.69 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -72.36 -8.67 56.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.191 1.797 . . . . 0.0 112.077 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.85 -18.65 0.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.9 1.28 . . . . 0.0 112.797 169.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.74 -64.55 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.18 65.97 1.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.304 1.041 . . . . 0.0 110.379 -176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.6 160.34 22.76 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 162.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 -31.16 3.75 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.039 1.304 . . . . 0.0 111.308 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttp -68.07 -37.24 81.03 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.212 2.205 . . . . 0.0 111.404 176.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.444 HD12 ' H ' ' A' ' 18' ' ' ILE . 4.2 mp -71.56 -43.37 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 14.3 0.14 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.243 3.017 . . . . 0.0 114.025 -164.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 126.442 1.972 . . . . 0.0 112.444 175.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.05 -24.8 26.73 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -170.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.72 -48.17 69.87 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 124.719 1.208 . . . . 0.0 110.15 176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.46 -14.32 48.5 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.202 1.382 . . . . 0.0 114.226 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.3 -23.37 26.33 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.167 1.483 . . . . 0.0 112.161 172.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.28 -94.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 126.009 1.724 . . . . 0.0 110.837 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.76 -87.32 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 129.991 3.316 . . . . 0.0 113.037 -166.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.25 -26.64 2.37 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.861 1.696 . . . . 0.0 114.976 173.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.43 -34.91 71.33 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 119.446 1.623 . . . . 0.0 113.208 171.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.2 mt -101.47 -54.86 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 127.813 2.445 . . . . 0.0 107.784 -174.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.28 -6.45 29.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.32 2.248 . . . . 0.0 112.498 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.17 -55.4 0.44 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.326 0.966 . . . . 0.0 111.267 170.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.14 92.99 0.56 Allowed Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -176.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.04 -53.39 0.1 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.236 2.614 . . . . 0.0 115.301 -173.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 52.51 147.35 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 130.88 3.672 . . . . 0.0 114.557 -164.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.68 2.04 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 127.732 2.587 . . . . 0.0 110.482 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.7 ttp -58.93 -35.99 74.01 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 129.494 3.117 . . . . 0.0 111.423 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 mm -91.35 -47.06 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 124.655 1.182 . . . . 0.0 108.096 175.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.17 -13.95 59.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.913 2.085 . . . . 0.0 113.49 -159.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -170.489 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.71 -23.78 30.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -53.85 -48.42 70.0 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.652 1.181 . . . . 0.0 110.076 175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.02 -9.48 47.51 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.43 1.49 . . . . 0.0 114.36 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.11 -19.93 23.74 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.536 1.668 . . . . 0.0 111.999 170.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.31 -106.14 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 125.294 1.438 . . . . 0.0 110.335 173.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.05 -78.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 130.924 3.69 . . . . 0.0 114.829 -172.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.16 -30.92 8.02 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.8 1.191 . . . . 0.0 113.559 169.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -58.01 -22.1 48.08 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.377 1.589 . . . . 0.0 112.989 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -113.47 -49.06 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 126.173 1.789 . . . . 0.0 108.646 -175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -63.02 -21.13 65.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.407 1.083 . . . . 0.0 111.639 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.81 56.6 1.78 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.651 1.98 . . . . 0.0 106.098 167.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.88 47.21 0.61 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.31 1.433 . . . . 0.0 112.178 171.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.66 35.01 1.04 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.517 3.527 . . . . 0.0 107.917 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -63.57 150.83 43.12 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.124 -0.985 . . . . 0.0 109.054 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -32.86 3.99 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.226 0.917 . . . . 0.0 111.457 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -73.04 -34.0 66.05 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 126.467 1.907 . . . . 0.0 111.324 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.2 mm -70.29 -60.3 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.35 160.37 43.32 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 128.33 2.652 . . . . 0.0 105.681 159.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.218 0 C-N-CA 126.336 1.922 . . . . 0.0 113.233 173.102 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.41 -24.78 21.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.204 1.402 . . . . 0.0 114.691 -169.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -53.8 -47.14 71.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.949 1.3 . . . . 0.0 110.115 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.08 -11.43 51.54 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.505 1.526 . . . . 0.0 114.33 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.58 -23.57 25.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.366 1.583 . . . . 0.0 111.85 171.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.53 -100.09 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 126.111 1.764 . . . . 0.0 111.341 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 29.67 -79.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 131.076 3.75 . . . . 0.0 114.898 -170.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.95 -37.63 3.02 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.85 1.214 . . . . 0.0 112.472 167.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -59.93 -14.54 16.21 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -118.86 -40.33 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 126.097 1.759 . . . . 0.0 109.127 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.46 -19.71 65.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.943 0.897 . . . . 0.0 111.977 176.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -141.67 -52.38 0.43 Allowed 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.513 1.125 . . . . 0.0 110.057 175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.96 -23.1 0.31 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.133 1.825 . . . . 0.0 115.792 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.98 -3.17 34.12 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.94 1.37 . . . . 0.0 113.417 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -59.55 134.29 56.88 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 120.635 1.561 . . . . 0.0 110.985 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.84 -24.47 2.77 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.315 1.436 . . . . 0.0 112.271 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 ttm -70.57 -33.96 71.67 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.321 1.849 . . . . 0.0 111.645 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.4 mm -43.42 -58.89 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 128.237 2.615 . . . . 0.0 111.926 -170.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -140.46 169.08 18.32 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.742 1.617 . . . . 0.0 110.001 -172.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.119 0 C-N-CA 125.151 1.358 . . . . 0.0 112.024 -168.548 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.302 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.98 -23.05 17.34 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -169.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -53.78 -44.04 69.77 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.943 1.297 . . . . 0.0 110.608 175.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.44 -11.96 30.34 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.401 1.477 . . . . 0.0 114.43 177.033 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.99 -15.32 24.98 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.337 1.569 . . . . 0.0 112.628 171.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.08 -95.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.161 0 C-N-CA 125.974 1.709 . . . . 0.0 110.692 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.11 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 130.476 3.511 . . . . 0.0 114.385 -169.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.0 -30.78 3.96 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 125.087 1.327 . . . . 0.0 113.965 170.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.37 -10.69 12.06 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.259 1.53 . . . . 0.0 114.067 174.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.72 -48.69 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.9 2.08 . . . . 0.0 108.384 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -72.36 -8.67 56.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.191 1.797 . . . . 0.0 112.077 -179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -143.85 -18.65 0.59 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.9 1.28 . . . . 0.0 112.797 169.45 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.74 -64.55 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -179.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.18 65.97 1.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.304 1.041 . . . . 0.0 110.379 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.6 160.34 22.76 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 162.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 -31.16 3.75 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.039 1.304 . . . . 0.0 111.308 -176.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.8 ttp -68.07 -37.24 81.03 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.212 2.205 . . . . 0.0 111.404 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.444 HD12 ' H ' ' A' ' 18' ' ' ILE . 4.2 mp -71.56 -43.37 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.013 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 14.3 0.14 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.243 3.017 . . . . 0.0 114.025 -164.003 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 C-N-CA 126.442 1.972 . . . . 0.0 112.444 175.844 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.262 0 N-CA-C 110.039 -1.224 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.57 -24.13 30.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -169.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -53.83 -45.78 70.95 Favored 'General case' 0 C--O 1.228 -0.063 0 C-N-CA 124.839 1.255 . . . . 0.0 110.449 176.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.73 -12.78 54.5 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.054 -1.43 . . . . 0.0 114.285 178.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.7 -17.72 26.27 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.35 1.575 . . . . 0.0 112.036 171.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -104.34 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.187 0 C-N-CA 125.233 1.413 . . . . 0.0 110.47 176.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.94 -76.66 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 130.807 3.643 . . . . 0.0 115.466 -170.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.64 -27.8 9.61 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.648 1.118 . . . . 0.0 113.335 170.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -61.98 -24.98 67.36 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.353 1.061 . . . . 0.0 113.416 173.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -103.89 -40.61 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.844 1.258 . . . . 0.0 108.631 -178.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.36 -23.17 67.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.305 0.642 . . . . 0.0 111.554 176.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -147.17 -60.99 0.28 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.351 1.06 . . . . 0.0 110.19 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.67 -72.85 0.47 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -163.008 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.31 12.62 0.35 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -166.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.67 153.99 15.42 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.903 1.683 . . . . 0.0 113.064 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.68 -40.58 3.03 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 126.484 1.993 . . . . 0.0 109.95 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.3 ttp -57.46 -33.93 68.47 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 127.123 2.169 . . . . 0.0 111.981 -179.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 mp -58.59 -38.35 70.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.921 1.688 . . . . 0.0 110.928 178.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.14 -69.84 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.639 0.654 . . . . 0.0 110.58 -169.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -171.034 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.301 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 pp -54.08 -28.27 38.06 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -169.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -53.81 -47.96 70.35 Favored 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 124.891 1.276 . . . . 0.0 110.412 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.38 -10.15 46.83 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.681 1.61 . . . . 0.0 114.292 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.92 -23.52 21.56 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.232 1.516 . . . . 0.0 112.109 170.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.58 -103.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.158 0 C-N-CA 125.944 1.698 . . . . 0.0 111.562 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.87 -81.08 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 130.501 3.521 . . . . 0.0 114.729 -172.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -29.53 9.68 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.641 1.115 . . . . 0.0 113.156 170.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.86 -23.57 63.52 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.88 1.34 . . . . 0.0 113.303 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -111.43 -44.29 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 126.124 1.77 . . . . 0.0 109.082 -176.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.59 -14.43 62.84 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.262 1.025 . . . . 0.0 111.932 178.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -141.29 -62.92 0.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.602 1.161 . . . . 0.0 111.606 176.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.64 3.95 51.06 Favored Glycine 0 CA--C 1.536 1.384 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 177.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.2 38.42 3.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.969 1.708 . . . . 0.0 109.036 177.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.04 151.11 45.9 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.162 0.985 . . . . 0.0 111.547 -164.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.02 -38.9 3.14 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 126.079 1.799 . . . . 0.0 110.438 -179.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.44 63.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.459 2.304 . . . . 0.0 111.766 177.338 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' CD1' ' H ' ' A' ' 18' ' ' ILE . 1.6 mp -49.0 -32.0 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 127.245 2.218 . . . . 0.0 111.771 175.227 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.9 t70 55.17 -144.06 0.7 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.971 0.908 . . . . 0.0 109.377 -168.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.301 0 C-N-CA 125.724 1.631 . . . . 0.0 113.676 178.184 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.71 -23.82 31.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -169.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.65 -47.9 69.91 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 124.822 1.249 . . . . 0.0 110.127 176.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.24 -10.61 53.21 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 114.01 -1.45 . . . . 0.0 114.286 178.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.14 -18.83 26.39 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.488 1.644 . . . . 0.0 111.817 170.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.24 -105.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 125.527 1.531 . . . . 0.0 110.71 175.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 26.41 -79.38 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 130.513 3.525 . . . . 0.0 114.851 -169.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.1 -28.96 4.45 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.246 1.403 . . . . 0.0 113.882 170.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.46 -23.18 67.29 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.688 1.244 . . . . 0.0 113.486 174.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.3 -36.66 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.512 1.525 . . . . 0.0 108.785 -177.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.64 -22.3 65.33 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.181 0.592 . . . . 0.0 111.661 174.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -147.01 -61.0 0.29 Allowed 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.458 1.103 . . . . 0.0 110.108 172.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.72 -67.94 0.56 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.358 0.98 . . . . 0.0 110.682 -163.022 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.77 -1.6 0.17 Allowed 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -167.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.81 142.98 22.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 121.035 1.743 . . . . 0.0 112.539 -174.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.46 -35.38 4.75 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 126.252 1.882 . . . . 0.0 111.219 -175.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.39 -39.33 71.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 117.505 0.652 . . . . 0.0 110.303 175.396 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.96 -46.32 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.76 7.19 0.27 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 130.443 3.497 . . . . 0.0 113.71 -171.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 C-N-CA 124.524 1.059 . . . . 0.0 112.997 176.798 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.231 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -50.58 -34.17 24.78 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.501 1.52 . . . . 0.0 114.769 -170.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -53.76 -44.59 70.12 Favored 'General case' 0 C--O 1.227 -0.102 0 C-N-CA 125.487 1.515 . . . . 0.0 110.996 179.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.57 -15.41 53.27 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 113.803 -1.544 . . . . 0.0 114.221 179.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.68 -19.47 27.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.312 1.556 . . . . 0.0 112.335 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.29 -99.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.976 1.31 . . . . 0.0 111.058 -176.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 25.64 -78.46 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 130.81 3.644 . . . . 0.0 115.101 -168.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.09 -29.81 2.37 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.544 1.545 . . . . 0.0 113.524 169.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -58.74 -44.15 90.43 Favored 'General case' 0 C--O 1.225 -0.19 0 C-N-CA 124.532 1.133 . . . . 0.0 112.706 172.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.77 -34.71 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.052 0.941 . . . . 0.0 109.427 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.26 -30.51 70.51 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.234 177.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -165.97 -46.27 0.03 OUTLIER 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.056 0.942 . . . . 0.0 111.346 163.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.28 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 CA-C-O 118.72 -1.044 . . . . 0.0 113.782 -171.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 66.22 85.53 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.779 2.432 . . . . 0.0 109.809 -170.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.39 161.96 21.47 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -169.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.79 -36.76 3.4 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 127.328 2.394 . . . . 0.0 109.875 -173.287 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.0 ttp -62.33 -33.84 75.46 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.928 2.491 . . . . 0.0 111.9 175.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.13 -33.43 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 126.561 1.944 . . . . 0.0 110.853 176.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -71.92 158.0 36.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.694 0.759 . . . . 0.0 112.135 -171.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 C-N-CA 125.088 1.328 . . . . 0.0 110.846 175.52 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -56.06 -23.82 35.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -53.68 -49.04 68.87 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.514 1.126 . . . . 0.0 109.921 175.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.74 -9.22 44.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 125.342 1.449 . . . . 0.0 114.418 178.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.82 -19.89 22.92 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.429 1.614 . . . . 0.0 111.882 170.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.19 -106.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.876 1.67 . . . . 0.0 110.473 173.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 30.13 -82.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 130.164 3.386 . . . . 0.0 114.278 -172.194 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.06 6.24 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.169 1.366 . . . . 0.0 114.127 170.558 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -60.55 -22.42 63.62 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.318 1.559 . . . . 0.0 113.253 172.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -113.08 -45.13 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.421 1.888 . . . . 0.0 108.645 -176.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -74.21 -7.14 51.66 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.811 1.644 . . . . 0.0 112.227 -178.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.68 -46.25 0.17 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.604 1.162 . . . . 0.0 111.785 172.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 3.11 13.81 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.373 1.463 . . . . 0.0 112.941 -166.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 95.79 98.8 0.01 OUTLIER 'General case' 0 C--N 1.347 0.48 0 C-N-CA 130.862 3.665 . . . . 0.0 109.504 -173.743 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.81 149.15 4.99 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.245 2.218 . . . . 0.0 111.091 -179.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.8 -47.84 1.06 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 127.935 2.683 . . . . 0.0 108.148 -169.41 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -33.91 70.9 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 124.511 1.125 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.68 -65.51 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.66 -26.57 50.47 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 128.087 2.555 . . . . 0.0 113.433 -168.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 CA-C-O 118.872 -0.96 . . . . 0.0 113.581 -178.565 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.69 -25.0 52.91 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -167.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.71 -48.99 69.05 Favored 'General case' 0 C--O 1.227 -0.12 0 C-N-CA 124.549 1.139 . . . . 0.0 110.198 176.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.61 -9.68 45.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.423 1.487 . . . . 0.0 114.249 178.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.14 -17.84 23.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.336 1.568 . . . . 0.0 112.111 171.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.14 -105.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.341 0.196 0 C-N-CA 125.33 1.452 . . . . 0.0 110.393 173.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 31.04 -79.47 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 130.742 3.617 . . . . 0.0 114.825 -172.201 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.89 -27.74 14.5 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.653 1.121 . . . . 0.0 113.475 170.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.76 -22.48 58.04 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.955 1.378 . . . . 0.0 113.06 172.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.82 -55.1 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 126.043 1.737 . . . . 0.0 107.705 -177.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.5 -14.37 28.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.47 1.508 . . . . 0.0 112.257 -179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.11 34.11 1.54 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.933 1.693 . . . . 0.0 110.32 172.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.32 2.88 1.38 Allowed Glycine 0 CA--C 1.539 1.581 0 O-C-N 121.121 -0.987 . . . . 0.0 115.469 178.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.66 37.37 2.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.788 2.035 . . . . 0.0 109.804 172.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -58.86 151.25 21.99 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.01 -38.77 1.78 Allowed Glycine 0 C--N 1.337 0.638 0 C-N-CA 128.429 2.919 . . . . 0.0 110.606 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.6 ttm -60.32 -33.72 72.79 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 128.954 2.902 . . . . 0.0 111.458 -177.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mp -60.51 -42.69 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 124.019 0.928 . . . . 0.0 110.604 -178.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -130.88 -24.19 2.43 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -159.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.201 0 C-N-CA 125.16 1.362 . . . . 0.0 112.439 -171.057 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.311 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.1 -26.83 40.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -169.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -53.89 -48.76 69.77 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 124.834 1.254 . . . . 0.0 110.054 176.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -9.54 39.51 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.458 1.504 . . . . 0.0 114.379 -179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.37 -24.51 23.07 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.355 1.577 . . . . 0.0 112.05 170.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.54 -95.5 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 C-N-CA 126.476 1.91 . . . . 0.0 111.437 178.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.39 -87.63 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 129.842 3.257 . . . . 0.0 113.321 -167.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.35 -29.94 7.6 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.77 1.176 . . . . 0.0 113.968 174.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.52 -13.6 42.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 120.183 1.992 . . . . 0.0 112.382 176.02 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.09 -54.51 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 127.825 2.45 . . . . 0.0 107.912 178.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -69.33 -10.83 59.64 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.08 2.152 . . . . 0.0 112.362 -174.393 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -127.66 -44.85 1.49 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.692 1.197 . . . . 0.0 109.17 166.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.45 102.5 2.29 Favored Glycine 0 C--N 1.341 0.847 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 171.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.66 -35.74 0.09 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 129.808 3.243 . . . . 0.0 116.56 178.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 54.83 169.27 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 130.258 3.423 . . . . 0.0 114.911 178.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.01 -45.41 2.76 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 127.89 2.662 . . . . 0.0 109.624 -170.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.0 ttp -67.66 -33.93 75.93 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 130.704 3.601 . . . . 0.0 111.977 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.63 -45.62 28.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.95 1.3 . . . . 0.0 107.526 175.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.21 -28.82 68.39 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.789 2.035 . . . . 0.0 111.793 -173.167 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.865 0 C-N-CA 124.553 1.073 . . . . 0.0 110.743 178.023 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.7 -23.16 27.11 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -169.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -53.7 -45.29 70.36 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.711 1.205 . . . . 0.0 110.318 175.001 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.25 -12.66 39.26 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.416 1.484 . . . . 0.0 114.339 178.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.49 -17.92 24.96 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.265 1.532 . . . . 0.0 112.459 172.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.2 -98.03 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.218 1.807 . . . . 0.0 110.379 175.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.13 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 130.254 3.422 . . . . 0.0 114.329 -169.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.83 -20.76 14.08 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 120.153 1.342 . . . . 0.0 113.833 173.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -61.84 -18.83 61.49 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.348 -1.677 . . . . 0.0 112.874 170.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -118.33 -61.37 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 127.337 2.255 . . . . 0.0 107.756 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.31 -14.43 39.23 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 127.032 2.133 . . . . 0.0 112.253 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.68 12.97 4.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.914 0.885 . . . . 0.0 110.042 171.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.35 23.36 18.32 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.602 -1.11 . . . . 0.0 114.672 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.68 10.17 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.409 1.484 . . . . 0.0 113.625 -170.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -56.04 149.94 14.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.121 0.962 . . . . 0.0 111.23 178.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.29 -39.01 2.95 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 126.713 2.101 . . . . 0.0 109.893 -173.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -34.13 65.78 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.171 0.988 . . . . 0.0 110.994 177.445 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.58 -71.53 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.23 -19.8 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 127.637 2.375 . . . . 0.0 113.228 -173.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 CA-C-O 118.017 -1.435 . . . . 0.0 114.213 175.92 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.322 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.95 -25.28 42.83 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -54.0 -48.96 69.89 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.484 1.113 . . . . 0.0 110.215 175.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -7.58 50.82 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.334 1.445 . . . . 0.0 114.295 177.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.0 -17.39 27.94 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.542 1.671 . . . . 0.0 111.737 169.696 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.06 -106.17 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 125.353 1.461 . . . . 0.0 110.721 174.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.54 -81.28 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 130.166 3.387 . . . . 0.0 114.821 -169.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.85 -31.57 5.55 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.181 1.372 . . . . 0.0 113.83 169.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.42 -17.48 54.44 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.11 1.455 . . . . 0.0 113.354 174.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.56 -42.41 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.98 1.712 . . . . 0.0 108.852 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.43 -12.08 60.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.139 0.975 . . . . 0.0 112.375 179.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.58 -24.35 0.11 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.81 -63.26 4.41 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.66 66.55 1.35 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.717 1.207 . . . . 0.0 109.992 -173.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.09 159.8 28.04 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 122.244 1.021 . . . . 0.0 112.662 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 -38.48 2.25 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 127.579 2.514 . . . . 0.0 110.42 178.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.9 ttm -56.85 -33.43 66.79 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 130.003 3.321 . . . . 0.0 112.076 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.455 HD12 ' H ' ' A' ' 18' ' ' ILE . 2.4 mp -54.47 -37.93 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.321 1.048 . . . . 0.0 110.419 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 56.83 166.83 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 128.175 2.59 . . . . 0.0 113.394 -169.269 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 C-N-CA 126.387 1.946 . . . . 0.0 113.151 177.692 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.82 -22.64 25.93 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -169.518 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -53.84 -45.17 70.81 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 124.978 1.311 . . . . 0.0 110.497 175.536 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.6 -10.4 49.24 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.101 -1.408 . . . . 0.0 114.289 178.193 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.48 -16.22 27.6 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.313 1.557 . . . . 0.0 112.181 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -116.06 -104.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.179 0 C-N-CA 125.44 1.496 . . . . 0.0 110.974 177.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -78.24 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 130.684 3.594 . . . . 0.0 115.561 -169.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.38 -32.45 3.82 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.457 1.503 . . . . 0.0 113.227 167.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -62.22 -18.27 60.65 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 175.198 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -111.76 -36.77 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.119 1.368 . . . . 0.0 108.625 179.749 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.69 -22.27 66.08 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.771 175.385 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -156.89 -19.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 163.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.08 -55.55 4.97 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 119.858 1.208 . . . . 0.0 110.957 -175.034 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.84 92.27 3.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.838 1.655 . . . . 0.0 107.03 175.113 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.1 164.87 26.05 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.676 0.751 . . . . 0.0 110.562 173.276 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.75 -36.24 2.29 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.513 2.006 . . . . 0.0 110.775 -177.233 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -33.59 52.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 129.36 3.064 . . . . 0.0 112.177 177.173 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 18' ' ' ILE . 5.3 mp -47.61 -36.94 5.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 127.301 2.24 . . . . 0.0 111.623 172.878 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 56.34 -159.54 0.22 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.921 1.288 . . . . 0.0 110.155 -167.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.668 1.128 . . . . 0.0 110.871 160.987 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pp -54.65 -23.93 19.39 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.164 1.386 . . . . 0.0 114.723 -169.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -53.83 -44.2 70.06 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 125.226 1.41 . . . . 0.0 110.552 176.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.86 -13.17 45.99 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 114.109 -1.405 . . . . 0.0 114.303 177.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.4 -16.61 27.12 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.403 1.602 . . . . 0.0 112.42 171.801 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.09 -99.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 C-N-CA 125.075 1.35 . . . . 0.0 110.717 179.33 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 27.36 -75.98 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 131.304 3.842 . . . . 0.0 115.539 -170.05 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.41 -31.88 3.62 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.083 1.325 . . . . 0.0 112.989 167.641 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.44 -24.56 66.62 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 175.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.02 -37.67 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 125.148 1.379 . . . . 0.0 108.974 179.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -64.96 -25.46 67.88 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.867 -0.587 . . . . 0.0 111.615 176.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -157.2 -29.05 0.09 Allowed 'General case' 0 C--N 1.345 0.388 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 175.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 104.52 -63.26 0.35 Allowed Glycine 0 C--N 1.336 0.581 0 N-CA-C 108.656 -1.778 . . . . 0.0 108.656 -168.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.99 99.54 3.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.016 1.326 . . . . 0.0 107.457 170.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 17' ' ' MET . 2.9 pp20? -73.59 157.76 36.07 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.29 0.636 . . . . 0.0 109.777 170.461 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.78 -34.01 2.57 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 125.636 1.589 . . . . 0.0 111.419 173.821 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.412 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.3 ttp -65.84 -34.05 77.26 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 129.042 2.937 . . . . 0.0 111.286 178.643 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.34 -59.39 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -157.23 164.68 37.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 128.894 2.878 . . . . 0.0 105.878 162.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.11 0 C-N-CA 125.878 1.704 . . . . 0.0 113.905 177.464 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.248 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 pp -55.35 -25.05 32.7 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -169.256 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.83 -46.05 71.04 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 125.054 1.342 . . . . 0.0 110.378 176.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.84 -11.47 54.38 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.366 1.46 . . . . 0.0 114.281 178.843 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.44 -18.47 28.23 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.391 1.595 . . . . 0.0 111.974 171.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.252 2.5 pt -116.3 -104.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 125.674 1.59 . . . . 0.0 111.196 179.092 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 28.49 -80.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.374 3.47 . . . . 0.0 114.844 -170.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.41 -29.69 7.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.922 1.249 . . . . 0.0 113.602 171.014 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.36 -14.02 45.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.518 1.127 . . . . 0.0 113.424 174.551 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.5 mp -121.05 -39.73 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 126.219 1.808 . . . . 0.0 109.123 -178.489 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.41 -21.97 66.73 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.707 176.288 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -144.76 -49.0 0.25 Allowed 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.935 0.894 . . . . 0.0 112.166 168.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.04 11.58 25.75 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.188 -1.34 . . . . 0.0 114.356 -174.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 94.1 101.18 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 129.875 3.27 . . . . 0.0 108.759 -176.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -62.12 153.06 31.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.77 2.028 . . . . 0.0 111.002 -173.251 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.64 -33.6 4.54 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 126.129 1.823 . . . . 0.0 111.067 -176.658 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.9 ttm -76.04 -34.03 59.64 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 125.308 1.443 . . . . 0.0 111.487 171.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.5 mm -75.22 -41.53 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.641 1.176 . . . . 0.0 109.104 -175.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.24 169.59 10.16 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 128.773 2.829 . . . . 0.0 111.848 -171.158 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.567 1.08 . . . . 0.0 111.974 175.807 . . . . . . . . 0 0 . 1 stop_ save_