data_2m4v_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 2m4v _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mm -88.81 107.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.92 164.53 12.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.88 0.872 . . . . 0.0 111.291 170.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -116.27 152.95 32.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.986 1.314 . . . . 0.0 110.553 168.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -141.39 141.56 33.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.171 0.988 . . . . 0.0 111.646 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -108.06 122.99 48.01 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.11 1.764 . . . . 0.0 111.041 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -76.72 177.77 7.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.039 1.335 . . . . 0.0 111.668 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.45 -16.96 61.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.77 4.7 46.59 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.082 0.855 . . . . 0.0 112.515 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.27 2.16 90.54 Favored Glycine 0 N--CA 1.47 0.928 0 C-N-CA 124.777 1.18 . . . . 0.0 114.598 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.69 120.11 16.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.196 0.998 . . . . 0.0 108.868 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.39 134.16 46.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.384 0.611 . . . . 0.0 111.373 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.03 163.75 24.72 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.343 1.457 . . . . 0.0 111.585 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 135.86 50.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.39 110.03 28.66 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 124.928 1.291 . . . . 0.0 110.408 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -70.92 130.04 17.29 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.231 3.287 . . . . 0.0 111.587 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -115.93 141.97 47.4 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.239 1.815 . . . . 0.0 111.0 171.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.9 162.55 20.47 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.264 -0.897 . . . . 0.0 111.758 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -59.51 -20.63 56.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.254 1.022 . . . . 0.0 113.587 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.01 -11.22 60.67 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.868 1.267 . . . . 0.0 113.478 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.79 171.55 12.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.663 1.985 . . . . 0.0 113.177 -174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.09 171.13 13.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.697 1.999 . . . . 0.0 111.382 171.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -88.7 110.02 34.12 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 127.424 2.29 . . . . 0.0 109.928 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.26 151.53 60.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.575 2.85 . . . . 0.0 110.673 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -29.91 15.51 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.58 1.562 . . . . 0.0 115.149 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.7 p -139.98 159.43 42.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.319 1.059 . . . . 0.0 112.47 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -157.68 148.03 20.74 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.635 1.574 . . . . 0.0 111.837 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.6 125.76 27.69 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.919 -1.113 . . . . 0.0 111.832 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.1 m -89.72 160.8 16.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.43 1.092 . . . . 0.0 112.215 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -66.41 -15.68 63.5 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.0 -17.12 64.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.87 1.268 . . . . 0.0 112.824 170.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.45 11.64 60.64 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.491 1.519 . . . . 0.0 113.646 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -114.47 147.31 39.52 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.541 1.136 . . . . 0.0 111.836 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.45 110.03 2.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.058 0.943 . . . . 0.0 111.16 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.52 148.94 20.83 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.639 1.114 . . . . 0.0 112.604 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.0 m -107.5 138.82 43.02 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.709 -0.877 . . . . 0.0 111.659 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 125.596 1.559 . . . . 0.0 111.399 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.13 106.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 157.73 15.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.819 0.847 . . . . 0.0 110.634 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -112.72 149.73 32.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.631 1.172 . . . . 0.0 110.528 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.81 142.47 34.63 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.49 1.116 . . . . 0.0 111.559 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -109.86 125.83 53.19 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.317 1.847 . . . . 0.0 111.13 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -79.41 178.54 8.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.048 1.339 . . . . 0.0 111.841 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.59 -16.58 61.73 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.75 2.71 54.51 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.15 0.886 . . . . 0.0 112.8 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 7.49 88.32 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.064 1.316 . . . . 0.0 114.694 -168.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.02 119.98 18.98 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.601 1.2 . . . . 0.0 108.572 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -102.46 131.01 49.41 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.662 0.785 . . . . 0.0 111.587 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -130.03 163.78 25.75 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.443 1.497 . . . . 0.0 112.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -109.9 136.84 48.55 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.731 1.213 . . . . 0.0 111.917 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -125.51 110.02 25.98 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.403 1.481 . . . . 0.0 110.047 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.71 130.05 16.44 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.238 3.292 . . . . 0.0 111.97 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -116.9 144.04 44.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.437 1.895 . . . . 0.0 111.355 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.15 159.43 20.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.222 -0.923 . . . . 0.0 111.381 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.08 -19.95 62.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.26 -12.94 61.38 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.921 1.288 . . . . 0.0 113.433 171.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.5 172.88 7.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.13 2.172 . . . . 0.0 112.699 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -131.1 165.84 22.37 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.995 1.718 . . . . 0.0 110.766 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -87.2 110.03 30.17 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 127.374 2.27 . . . . 0.0 109.516 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.38 151.69 60.03 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.488 2.792 . . . . 0.0 110.512 168.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.8 15.56 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.392 1.472 . . . . 0.0 115.073 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.9 p -140.05 159.4 42.27 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.154 0.977 . . . . 0.0 112.579 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -157.75 148.09 20.68 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.615 1.566 . . . . 0.0 111.748 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 126.3 28.9 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.894 -1.129 . . . . 0.0 111.716 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 63.1 m -91.19 165.48 13.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.501 1.12 . . . . 0.0 112.658 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -68.03 -16.53 64.08 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.329 1.052 . . . . 0.0 113.818 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.77 -17.13 63.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.084 1.354 . . . . 0.0 113.254 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.27 60.92 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.116 1.341 . . . . 0.0 113.796 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.7 148.57 34.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.089 1.355 . . . . 0.0 111.233 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 110.05 3.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.808 0.843 . . . . 0.0 110.356 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.76 148.72 21.92 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.526 1.06 . . . . 0.0 112.775 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.4 m -106.88 138.49 42.95 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.861 0.864 . . . . 0.0 111.58 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 125.57 1.548 . . . . 0.0 111.055 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.481 0.657 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.73 110.0 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 120.824 -1.173 . . . . 0.0 108.451 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 163.39 12.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.687 1.195 . . . . 0.0 111.326 166.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -113.97 149.54 35.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.165 1.386 . . . . 0.0 110.624 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.14 142.92 38.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.078 0.951 . . . . 0.0 111.287 175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -109.04 124.88 51.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.72 2.008 . . . . 0.0 111.074 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -80.4 178.95 7.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.201 1.4 . . . . 0.0 111.54 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.69 -16.56 61.68 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.09 2.88 54.76 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.165 0.893 . . . . 0.0 112.781 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.59 7.82 88.16 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.154 1.359 . . . . 0.0 114.772 -168.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.57 120.11 18.72 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.472 1.136 . . . . 0.0 108.498 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.56 132.43 48.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.323 0.649 . . . . 0.0 112.013 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.35 163.16 26.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.443 1.497 . . . . 0.0 112.054 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 136.05 49.84 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.793 1.237 . . . . 0.0 111.509 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.13 109.98 27.05 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.217 1.407 . . . . 0.0 110.891 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -73.76 123.0 8.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.913 3.075 . . . . 0.0 111.996 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -105.33 142.84 34.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.413 1.885 . . . . 0.0 111.144 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.18 159.65 20.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.313 -0.867 . . . . 0.0 110.962 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.87 -19.88 60.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.262 1.025 . . . . 0.0 113.59 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.98 -12.3 61.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.76 1.224 . . . . 0.0 113.214 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.68 167.38 11.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.106 2.162 . . . . 0.0 112.088 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -135.89 148.0 48.4 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.815 1.246 . . . . 0.0 111.469 170.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -62.74 110.13 3.11 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 128.015 2.526 . . . . 0.0 111.631 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.87 150.46 55.45 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.352 2.701 . . . . 0.0 110.86 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.81 15.49 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.594 1.568 . . . . 0.0 115.173 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.97 159.38 42.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.122 0.961 . . . . 0.0 112.937 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.11 148.06 21.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.056 1.342 . . . . 0.0 112.343 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 125.16 25.8 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.946 -1.096 . . . . 0.0 111.687 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.8 m -91.46 165.75 13.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.599 1.159 . . . . 0.0 112.867 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -68.55 -16.37 63.85 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.64 -17.09 64.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.057 1.343 . . . . 0.0 113.173 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 13.35 60.71 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.172 1.368 . . . . 0.0 113.82 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.5 148.67 33.97 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.041 1.336 . . . . 0.0 111.258 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.24 110.01 2.87 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.857 0.863 . . . . 0.0 110.205 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.35 148.48 21.34 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.385 0.993 . . . . 0.0 112.501 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 m -106.3 140.25 39.53 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.787 -0.831 . . . . 0.0 111.559 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.11 1.364 . . . . 0.0 112.049 -177.663 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 121.26 0.552 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.5 103.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.99 26.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.321 1.049 . . . . 0.0 110.89 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -94.2 151.56 19.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.482 0.713 . . . . 0.0 111.539 174.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -140.52 141.25 35.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.573 1.149 . . . . 0.0 111.589 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -108.29 124.89 51.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.502 1.921 . . . . 0.0 110.99 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -77.67 177.7 7.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.215 1.406 . . . . 0.0 111.333 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.84 -10.49 59.81 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.438 -0.789 . . . . 0.0 112.674 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -99.43 12.12 37.24 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.46 1.904 . . . . 0.0 111.527 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.78 1.21 89.26 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 126.413 1.959 . . . . 0.0 115.096 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.83 120.26 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.483 0.641 . . . . 0.0 109.954 -167.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -102.5 128.4 49.15 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.413 0.625 . . . . 0.0 111.772 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.33 160.78 29.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.641 1.576 . . . . 0.0 111.487 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -110.28 132.58 54.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.478 1.511 . . . . 0.0 111.221 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.78 110.09 29.88 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 125.503 1.521 . . . . 0.0 110.689 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.43 130.04 16.74 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.049 3.166 . . . . 0.0 113.019 170.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -117.77 142.26 47.48 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.185 2.194 . . . . 0.0 111.455 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.16 163.12 18.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.958 0.903 . . . . 0.0 111.356 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.55 -19.94 58.86 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.199 -0.938 . . . . 0.0 113.387 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.95 -10.6 60.01 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.72 1.208 . . . . 0.0 113.093 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.4 160.49 28.06 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.649 1.98 . . . . 0.0 112.493 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.92 139.48 50.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 110.797 172.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.11 110.07 1.89 Allowed Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 127.777 2.431 . . . . 0.0 111.385 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.71 149.81 55.33 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.149 2.566 . . . . 0.0 110.519 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.87 15.14 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.514 1.53 . . . . 0.0 115.19 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -140.04 159.69 41.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.111 0.955 . . . . 0.0 112.339 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -157.21 148.07 21.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.532 1.533 . . . . 0.0 112.008 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 125.91 28.14 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.866 -1.146 . . . . 0.0 111.972 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -92.67 163.97 13.57 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.67 1.188 . . . . 0.0 112.77 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -68.35 -14.98 63.38 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.73 -17.14 64.0 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.506 0.67 . . . . 0.0 112.649 169.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.95 58.31 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.59 1.566 . . . . 0.0 113.912 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.7 tpp -109.91 148.34 31.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.102 1.761 . . . . 0.0 111.179 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.4 110.04 3.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.574 0.75 . . . . 0.0 110.06 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.44 22.69 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.638 1.113 . . . . 0.0 112.559 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.6 m -106.67 139.27 41.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.758 0.823 . . . . 0.0 111.426 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.348 1.459 . . . . 0.0 110.964 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 121.549 0.69 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.41 107.41 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 124.211 1.004 . . . . 0.0 108.675 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 161.99 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.675 1.19 . . . . 0.0 110.497 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -114.02 153.97 28.46 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.567 1.147 . . . . 0.0 110.027 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -140.94 138.46 33.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.038 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -104.15 124.23 48.71 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.603 1.961 . . . . 0.0 110.982 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -80.06 178.81 7.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.939 1.296 . . . . 0.0 111.735 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.09 -16.58 61.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.77 2.4 54.93 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.165 0.893 . . . . 0.0 112.694 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.49 8.92 87.06 Favored Glycine 0 C--N 1.341 0.82 0 C-N-CA 125.176 1.37 . . . . 0.0 114.807 -168.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 119.59 18.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.235 . . . . 0.0 108.491 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -102.54 128.48 49.16 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.823 0.849 . . . . 0.0 111.823 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.73 163.29 23.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.273 1.429 . . . . 0.0 111.61 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.97 136.53 49.1 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.276 1.03 . . . . 0.0 110.582 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.4 109.92 30.76 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.797 1.239 . . . . 0.0 109.716 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.15 126.02 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.36 2.707 . . . . 0.0 111.547 172.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -110.18 141.53 42.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.37 1.868 . . . . 0.0 111.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.03 158.78 26.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.662 0.785 . . . . 0.0 111.181 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.39 -19.93 50.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.985 1.314 . . . . 0.0 113.746 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.99 -13.13 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.819 1.248 . . . . 0.0 113.412 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.69 160.22 26.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.684 1.994 . . . . 0.0 112.62 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -131.25 142.41 50.14 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.06 1.344 . . . . 0.0 111.315 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.3 110.01 2.25 Favored Pre-proline 0 N--CA 1.471 0.597 0 C-N-CA 128.026 2.53 . . . . 0.0 111.701 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -72.07 149.8 53.12 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.284 2.656 . . . . 0.0 110.725 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.94 -29.92 14.91 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.718 1.628 . . . . 0.0 115.378 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 p -139.99 159.61 41.79 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.103 0.951 . . . . 0.0 112.351 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -157.68 148.11 20.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.581 1.552 . . . . 0.0 111.907 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 125.19 25.78 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.883 -1.136 . . . . 0.0 111.863 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.17 165.7 14.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.621 1.168 . . . . 0.0 112.606 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -67.98 -17.05 64.31 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -68.63 -17.13 64.05 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.18 1.392 . . . . 0.0 113.31 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.0 14.69 58.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.148 1.356 . . . . 0.0 113.812 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.29 148.57 37.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.043 1.337 . . . . 0.0 111.284 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.94 110.04 3.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.84 0.856 . . . . 0.0 110.468 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.3 150.65 22.12 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.775 1.178 . . . . 0.0 112.974 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -109.61 138.36 46.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.922 0.889 . . . . 0.0 112.073 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 126.035 1.734 . . . . 0.0 112.24 -170.22 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.4 mm -96.11 103.72 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.74 166.94 11.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.417 0.687 . . . . 0.0 110.228 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -123.72 152.67 41.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.032 0.933 . . . . 0.0 111.391 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -141.52 138.71 32.94 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.667 1.187 . . . . 0.0 112.631 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -104.14 124.09 48.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.8 2.04 . . . . 0.0 111.499 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -79.24 178.36 8.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.06 1.344 . . . . 0.0 111.781 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.78 -16.74 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.11 2.95 54.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.218 0.917 . . . . 0.0 112.708 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.01 87.05 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.17 1.367 . . . . 0.0 114.813 -169.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.04 119.64 19.48 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.541 1.171 . . . . 0.0 108.434 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -102.56 130.73 49.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.459 0.704 . . . . 0.0 112.203 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.66 163.2 24.77 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.96 1.704 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -109.9 137.69 47.34 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -127.03 110.04 21.78 Favored Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 125.61 1.564 . . . . 0.0 110.366 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -68.81 130.07 19.82 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.225 3.283 . . . . 0.0 113.09 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -120.0 148.35 43.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.055 2.142 . . . . 0.0 111.206 171.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.15 156.8 18.57 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.835 -1.166 . . . . 0.0 110.885 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 -19.99 63.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.099 -1.001 . . . . 0.0 113.603 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.89 -16.83 61.1 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.82 1.248 . . . . 0.0 113.213 172.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.56 177.46 4.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.784 2.034 . . . . 0.0 112.178 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -133.07 165.28 25.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.814 1.646 . . . . 0.0 111.369 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -91.17 107.37 20.79 Favored Pre-proline 0 N--CA 1.47 0.536 0 C-N-CA 126.69 1.996 . . . . 0.0 108.794 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.54 151.1 70.26 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.117 2.544 . . . . 0.0 110.167 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.65 -29.89 13.03 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.563 1.554 . . . . 0.0 115.031 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.4 p -139.97 159.37 42.32 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.261 1.031 . . . . 0.0 112.429 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -157.03 148.11 21.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.87 1.668 . . . . 0.0 111.578 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 126.69 30.32 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.987 -1.071 . . . . 0.0 111.767 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.3 m -90.93 165.16 13.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.648 1.179 . . . . 0.0 112.846 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -69.45 -13.53 62.4 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.4 -17.14 63.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.018 1.327 . . . . 0.0 113.095 168.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 13.05 61.23 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.005 1.288 . . . . 0.0 113.782 -174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.6 148.83 33.77 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 111.372 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.14 110.12 3.32 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.834 0.854 . . . . 0.0 110.446 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.91 149.82 21.83 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.877 1.227 . . . . 0.0 113.038 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.6 m -108.86 137.83 46.16 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.914 0.885 . . . . 0.0 112.081 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 126.272 1.829 . . . . 0.0 111.899 -170.048 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mm -86.23 106.82 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.89 160.86 14.12 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.574 -0.704 . . . . 0.0 111.4 172.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -113.44 148.59 35.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.154 1.382 . . . . 0.0 110.26 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -139.5 142.72 37.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.01 0.924 . . . . 0.0 111.346 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -108.75 124.73 51.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.639 1.576 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 p -78.85 178.03 8.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.126 1.37 . . . . 0.0 111.681 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.68 -16.6 61.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.79 2.29 53.78 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.225 0.92 . . . . 0.0 112.66 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.42 4.31 89.44 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 125.308 1.432 . . . . 0.0 114.853 -169.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.58 120.15 17.79 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.236 . . . . 0.0 109.074 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -102.49 133.73 46.98 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.202 0.601 . . . . 0.0 111.681 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -128.69 163.02 26.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.147 1.379 . . . . 0.0 111.935 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.02 134.66 51.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.132 1.373 . . . . 0.0 110.59 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 t -125.65 110.02 25.61 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.604 1.562 . . . . 0.0 110.69 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -69.0 130.06 19.57 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.003 3.135 . . . . 0.0 112.371 169.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.14 140.07 47.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.085 1.754 . . . . 0.0 111.275 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.73 164.58 19.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.843 0.857 . . . . 0.0 112.137 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.19 -26.25 27.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.523 1.529 . . . . 0.0 113.839 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.76 -13.85 61.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.355 1.862 . . . . 0.0 114.019 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.69 161.35 31.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.778 1.631 . . . . 0.0 113.73 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -132.01 152.32 51.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.97 1.308 . . . . 0.0 112.602 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.0 110.19 4.28 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 129.369 3.068 . . . . 0.0 112.338 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.68 152.29 69.72 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.416 2.744 . . . . 0.0 111.4 166.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.14 -29.82 15.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.191 1.377 . . . . 0.0 115.328 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.8 p -141.55 160.2 40.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.466 1.106 . . . . 0.0 113.043 173.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -157.28 148.04 21.41 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 112.595 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 123.92 22.4 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.856 -1.153 . . . . 0.0 111.735 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.8 m -88.87 166.2 14.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.492 1.117 . . . . 0.0 112.516 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -20.72 65.22 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.203 1.001 . . . . 0.0 112.608 -174.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -65.09 -17.1 64.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.174 1.39 . . . . 0.0 113.245 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.19 59.6 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.203 1.383 . . . . 0.0 113.733 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.04 148.71 36.57 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.88 1.272 . . . . 0.0 111.565 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.91 110.0 1.96 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 111.195 172.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.84 147.32 19.27 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.423 1.011 . . . . 0.0 112.482 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -106.75 139.78 40.65 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.839 -0.801 . . . . 0.0 111.615 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 125.24 1.416 . . . . 0.0 112.551 -175.787 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.64 105.23 15.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 124.006 0.923 . . . . 0.0 108.741 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.07 152.32 18.88 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.487 0.715 . . . . 0.0 110.457 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -104.86 150.99 24.37 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.097 0.959 . . . . 0.0 110.619 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -141.46 142.82 33.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.756 1.222 . . . . 0.0 110.886 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -110.04 125.77 53.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -80.87 178.34 8.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.848 1.259 . . . . 0.0 111.898 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.18 -16.17 61.96 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.55 2.9 56.12 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.165 0.893 . . . . 0.0 112.787 171.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.92 8.72 87.14 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 124.933 1.254 . . . . 0.0 114.581 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.21 120.02 20.13 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.779 1.289 . . . . 0.0 108.574 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -102.53 131.25 49.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.538 0.735 . . . . 0.0 111.241 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -129.84 164.25 24.53 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.421 1.488 . . . . 0.0 112.328 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -109.87 134.03 52.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.763 1.225 . . . . 0.0 110.63 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.02 110.03 40.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 125.13 1.372 . . . . 0.0 109.247 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.56 128.83 13.03 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.282 2.655 . . . . 0.0 111.082 172.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.582 1.553 . . . . 0.0 111.302 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.57 158.79 25.65 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.142 -0.974 . . . . 0.0 111.349 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.87 -19.94 54.24 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.286 1.034 . . . . 0.0 113.752 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.49 -12.82 60.31 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.064 1.345 . . . . 0.0 113.504 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.16 173.68 6.65 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.047 2.139 . . . . 0.0 112.806 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.14 167.32 20.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.113 1.765 . . . . 0.0 111.644 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.35 110.03 37.86 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 127.015 2.126 . . . . 0.0 109.875 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.45 151.7 53.78 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.614 2.876 . . . . 0.0 110.789 168.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.88 15.24 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.656 1.598 . . . . 0.0 115.23 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -140.04 159.29 42.5 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.292 1.046 . . . . 0.0 112.514 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -157.83 147.96 20.44 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 112.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.86 24.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.874 -1.141 . . . . 0.0 111.663 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.2 m -91.81 165.99 12.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.652 1.181 . . . . 0.0 112.838 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -67.43 -15.86 63.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.264 1.026 . . . . 0.0 113.753 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.15 -17.13 63.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.092 1.357 . . . . 0.0 113.273 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.62 61.83 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.016 1.293 . . . . 0.0 113.596 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -113.15 147.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.693 1.597 . . . . 0.0 111.166 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.46 110.05 3.46 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.905 0.882 . . . . 0.0 110.374 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.01 148.54 21.59 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.366 0.984 . . . . 0.0 112.731 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.4 m -108.28 137.77 45.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.947 0.899 . . . . 0.0 111.617 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.769 1.628 . . . . 0.0 111.025 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mm -85.21 106.56 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 168.93 10.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.103 0.961 . . . . 0.0 111.267 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -125.45 152.01 45.48 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 110.767 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -142.03 143.58 33.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.225 1.01 . . . . 0.0 112.303 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -110.05 123.77 50.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.299 2.24 . . . . 0.0 110.851 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.8 p -80.48 178.75 8.11 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 111.692 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.0 -16.09 62.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.3 2.55 56.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.119 0.872 . . . . 0.0 112.755 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.25 9.29 86.74 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.137 1.351 . . . . 0.0 114.825 -168.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.42 119.97 19.34 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.673 1.237 . . . . 0.0 108.477 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -102.55 130.26 49.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.465 0.706 . . . . 0.0 112.113 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.5 163.91 23.08 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.998 1.719 . . . . 0.0 111.686 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 137.3 47.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.28 1.432 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 t -126.96 110.09 21.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.889 1.275 . . . . 0.0 110.95 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -70.16 130.03 18.17 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.445 3.43 . . . . 0.0 112.129 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.42 140.66 49.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.228 1.811 . . . . 0.0 111.525 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 162.55 20.81 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.993 0.917 . . . . 0.0 111.791 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.9 -26.04 45.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.203 1.401 . . . . 0.0 114.626 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.44 -12.69 60.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.793 1.237 . . . . 0.0 114.118 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.46 164.19 14.64 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.783 2.033 . . . . 0.0 112.655 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 149.44 48.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.952 1.301 . . . . 0.0 111.495 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.88 110.12 3.43 Favored Pre-proline 0 C--O 1.239 0.512 0 C-N-CA 127.882 2.473 . . . . 0.0 111.382 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.07 150.33 60.05 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.373 2.715 . . . . 0.0 110.582 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.98 15.78 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.571 1.558 . . . . 0.0 115.144 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.98 159.32 42.45 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.121 0.961 . . . . 0.0 112.558 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -157.62 148.03 20.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.393 1.477 . . . . 0.0 112.353 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.95 125.34 26.47 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.849 -1.157 . . . . 0.0 111.756 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.11 164.29 13.64 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.651 1.18 . . . . 0.0 112.79 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.88 -16.06 63.5 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -67.73 -17.02 64.42 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.264 1.026 . . . . 0.0 112.927 170.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 13.94 60.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.241 1.4 . . . . 0.0 113.63 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.6 tpp -114.85 147.42 39.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.676 1.59 . . . . 0.0 111.398 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.28 110.1 3.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.01 0.924 . . . . 0.0 110.392 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.79 148.86 21.27 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.436 1.017 . . . . 0.0 112.857 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.1 m -107.91 138.61 43.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.231 1.012 . . . . 0.0 111.61 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 125.415 1.486 . . . . 0.0 111.945 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mm -89.91 100.98 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.259 -0.9 . . . . 0.0 109.106 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.05 139.47 33.01 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 111.644 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -91.62 150.57 21.1 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.603 0.761 . . . . 0.0 111.249 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -141.64 142.21 33.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -109.34 125.0 51.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.945 1.698 . . . . 0.0 111.471 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -79.46 177.81 8.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.987 1.315 . . . . 0.0 111.67 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.39 -16.11 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -90.75 2.78 55.72 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.179 0.9 . . . . 0.0 112.707 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.63 89.03 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.234 1.397 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.5 120.17 18.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.699 1.249 . . . . 0.0 109.264 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -102.43 132.85 48.19 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.584 0.706 . . . . 0.0 111.912 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -127.84 161.86 28.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.897 1.679 . . . . 0.0 111.622 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -111.04 133.65 53.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.552 1.541 . . . . 0.0 111.388 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 t -123.94 110.02 29.61 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 126.094 1.757 . . . . 0.0 110.399 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -70.03 130.08 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.824 3.016 . . . . 0.0 112.54 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -118.16 141.69 48.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.434 1.893 . . . . 0.0 111.237 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.52 159.38 21.71 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.202 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.25 -19.96 56.9 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.757 1.223 . . . . 0.0 113.63 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.94 -13.13 61.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.902 1.281 . . . . 0.0 113.307 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.97 162.49 18.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.911 2.084 . . . . 0.0 112.35 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -131.83 139.84 48.96 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.897 1.279 . . . . 0.0 111.073 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -56.23 110.15 2.14 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 127.932 2.493 . . . . 0.0 111.323 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.47 149.42 56.09 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.188 2.592 . . . . 0.0 110.447 169.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.88 15.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.49 1.519 . . . . 0.0 115.246 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.97 160.13 40.62 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.063 0.931 . . . . 0.0 112.309 170.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.1 148.14 23.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.506 1.522 . . . . 0.0 111.593 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 124.84 25.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.95 -1.094 . . . . 0.0 111.791 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.79 162.44 14.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.423 1.089 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -69.17 -10.86 59.75 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -68.56 -17.16 64.09 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.283 1.033 . . . . 0.0 112.763 167.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 12.56 61.77 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.212 1.387 . . . . 0.0 113.586 -173.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.9 tpp -113.74 146.54 39.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.678 1.591 . . . . 0.0 111.308 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.15 110.04 3.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.752 0.821 . . . . 0.0 110.312 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.82 148.38 22.54 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.288 0.947 . . . . 0.0 112.652 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.6 m -107.01 138.75 42.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.801 0.841 . . . . 0.0 111.62 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.824 1.65 . . . . 0.0 111.074 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mm -85.8 106.21 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 157.1 16.06 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.339 0.656 . . . . 0.0 110.462 172.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -110.48 151.18 27.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.715 1.206 . . . . 0.0 110.614 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -141.47 142.24 33.63 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 111.788 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -110.0 125.95 53.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.378 1.871 . . . . 0.0 111.485 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -80.65 178.07 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.947 1.299 . . . . 0.0 111.875 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.3 -16.0 61.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.22 1.6 56.29 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.132 0.878 . . . . 0.0 112.704 170.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.33 86.41 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 125.106 1.336 . . . . 0.0 114.787 -168.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.82 119.99 20.57 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.039 1.42 . . . . 0.0 109.127 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -102.52 130.15 49.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.835 0.854 . . . . 0.0 111.969 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -130.06 164.07 25.16 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.855 1.662 . . . . 0.0 112.22 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -110.05 136.43 49.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.123 1.369 . . . . 0.0 111.872 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.96 109.95 21.95 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 125.075 1.35 . . . . 0.0 110.773 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.42 130.07 16.79 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.423 3.415 . . . . 0.0 112.339 169.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.363 1.865 . . . . 0.0 111.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.31 160.85 22.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.004 0.921 . . . . 0.0 111.409 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.23 -20.0 56.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.437 1.095 . . . . 0.0 113.632 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.97 -12.66 61.35 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.999 1.32 . . . . 0.0 113.546 172.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.45 23.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.69 1.996 . . . . 0.0 112.644 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -133.15 142.6 48.75 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.124 1.37 . . . . 0.0 111.379 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.36 110.07 2.31 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 128.1 2.56 . . . . 0.0 111.689 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.84 149.44 53.89 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.302 2.668 . . . . 0.0 110.581 169.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.39 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.43 1.49 . . . . 0.0 115.409 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.92 41.08 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.143 0.972 . . . . 0.0 112.01 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -156.5 148.05 22.59 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.127 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 124.27 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.886 -1.134 . . . . 0.0 111.653 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.7 m -95.07 165.43 12.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.692 1.197 . . . . 0.0 112.894 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -64.6 -18.74 65.17 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -67.3 -17.05 64.61 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.519 1.128 . . . . 0.0 113.147 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 14.66 58.95 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.162 1.363 . . . . 0.0 113.684 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -116.53 148.07 41.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.01 1.724 . . . . 0.0 110.982 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.45 110.06 3.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.427 0.632 . . . . 0.0 110.257 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.6 149.08 26.81 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.295 0.95 . . . . 0.0 112.417 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.6 m -106.83 138.33 43.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.013 0.925 . . . . 0.0 111.664 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 126.146 1.778 . . . . 0.0 111.839 -172.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 121.087 0.47 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.08 108.06 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.299 -0.876 . . . . 0.0 108.705 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.87 162.81 13.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.034 0.934 . . . . 0.0 110.671 163.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -120.67 150.13 41.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.074 1.35 . . . . 0.0 111.474 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.92 139.43 34.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.484 1.113 . . . . 0.0 112.076 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -106.47 125.8 51.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.553 1.941 . . . . 0.0 111.25 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -81.71 177.84 8.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.663 1.185 . . . . 0.0 111.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.84 -15.01 61.62 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.0 0.58 56.54 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 119.101 0.864 . . . . 0.0 112.539 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.49 7.19 87.86 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.404 1.478 . . . . 0.0 114.901 -167.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.14 120.04 19.16 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.77 1.285 . . . . 0.0 109.067 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.47 130.34 49.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.797 0.839 . . . . 0.0 111.989 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.73 164.22 22.6 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.133 1.773 . . . . 0.0 111.678 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.05 134.14 54.66 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.115 1.366 . . . . 0.0 110.255 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -122.18 110.05 32.98 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 124.744 1.217 . . . . 0.0 110.362 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.6 120.5 4.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.511 2.808 . . . . 0.0 111.559 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -103.4 144.02 31.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.622 1.969 . . . . 0.0 111.11 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.81 157.68 23.08 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.178 -0.951 . . . . 0.0 111.569 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.73 -20.13 46.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.255 1.422 . . . . 0.0 113.993 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.1 -11.65 56.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.48 160.96 15.01 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.621 1.968 . . . . 0.0 112.017 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -131.9 138.55 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.859 1.264 . . . . 0.0 111.085 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.3 110.14 2.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 C-N-CA 127.786 2.434 . . . . 0.0 111.688 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -72.95 149.83 47.84 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.478 2.785 . . . . 0.0 111.023 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.99 -29.95 15.29 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.657 1.599 . . . . 0.0 115.207 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.91 160.7 39.32 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.116 0.958 . . . . 0.0 112.596 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -155.64 146.81 22.54 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.872 1.269 . . . . 0.0 112.525 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.86 123.91 22.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.731 -1.231 . . . . 0.0 111.754 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -98.19 163.87 12.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.015 1.326 . . . . 0.0 113.197 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.24 -13.29 62.14 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -173.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -66.89 -17.1 64.74 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 112.549 167.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 18.13 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.32 1.438 . . . . 0.0 113.653 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.0 tpt -122.0 150.47 42.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.541 1.537 . . . . 0.0 111.056 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.69 110.0 3.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.607 -0.683 . . . . 0.0 110.3 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 148.05 26.92 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.713 1.149 . . . . 0.0 112.059 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.2 m -107.71 137.64 45.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 111.866 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 tp . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 125.541 1.536 . . . . 0.0 112.141 -176.295 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.93 110.04 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.1 161.16 13.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.822 0.849 . . . . 0.0 111.226 165.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -116.33 150.2 38.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.329 1.452 . . . . 0.0 110.727 170.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.01 142.77 36.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.302 1.041 . . . . 0.0 111.694 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -110.12 124.61 51.84 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.94 2.096 . . . . 0.0 110.932 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p -80.26 178.89 7.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.995 1.318 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.29 -16.63 61.37 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.2 1.94 54.95 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.155 0.889 . . . . 0.0 112.723 170.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.42 8.85 87.15 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.202 1.382 . . . . 0.0 114.791 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.71 119.93 18.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.636 1.218 . . . . 0.0 108.478 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.43 129.47 48.94 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.475 0.71 . . . . 0.0 111.731 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -125.0 162.53 24.33 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.572 1.549 . . . . 0.0 111.367 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.91 137.94 46.99 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.392 1.077 . . . . 0.0 110.839 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.5 110.03 26.01 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 124.808 1.243 . . . . 0.0 110.184 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -72.42 130.03 15.62 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.882 3.055 . . . . 0.0 111.24 168.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -114.14 143.94 43.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.22 1.808 . . . . 0.0 110.714 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.46 157.92 19.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.092 -1.005 . . . . 0.0 111.388 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.1 -19.97 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -80.58 -12.47 59.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.66 174.95 5.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.327 2.251 . . . . 0.0 112.318 175.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.17 163.71 31.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.853 1.661 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -83.68 110.12 22.89 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.645 2.378 . . . . 0.0 111.028 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.33 151.82 54.59 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.617 2.878 . . . . 0.0 110.964 166.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -30.01 14.97 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.555 1.55 . . . . 0.0 115.203 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -139.91 159.42 42.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.154 0.977 . . . . 0.0 112.777 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.67 148.12 20.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.372 . . . . 0.0 112.605 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 122.43 18.24 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.958 -1.089 . . . . 0.0 111.933 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.4 m -86.95 161.86 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.434 1.093 . . . . 0.0 112.08 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -17.23 63.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.797 0.839 . . . . 0.0 112.803 -173.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -65.64 -17.08 64.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.065 1.346 . . . . 0.0 113.208 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 12.52 59.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.327 1.441 . . . . 0.0 113.84 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -112.28 148.1 34.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.98 1.312 . . . . 0.0 111.329 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.11 110.07 3.28 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.712 0.805 . . . . 0.0 110.307 174.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.15 148.55 21.51 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.441 1.02 . . . . 0.0 112.766 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 m -105.86 140.04 39.49 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.866 -0.785 . . . . 0.0 111.609 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 125.507 1.523 . . . . 0.0 113.467 -175.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.27 103.63 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.376 -0.828 . . . . 0.0 109.11 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 164.23 12.65 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.699 0.761 . . . . 0.0 110.0 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.01 147.96 51.82 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.744 1.218 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -138.51 138.17 37.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.755 0.822 . . . . 0.0 112.137 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -104.14 124.96 50.03 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.352 1.461 . . . . 0.0 111.669 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.3 177.47 8.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.936 1.294 . . . . 0.0 111.707 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.67 -15.79 61.7 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.59 2.03 56.21 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.292 0.951 . . . . 0.0 112.703 171.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.31 5.64 86.97 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 125.16 1.362 . . . . 0.0 114.984 -168.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.18 120.1 20.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.962 1.381 . . . . 0.0 109.381 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.56 130.6 49.46 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.778 0.831 . . . . 0.0 111.827 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -129.01 163.46 25.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.731 1.612 . . . . 0.0 111.973 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.97 138.97 45.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.118 1.367 . . . . 0.0 111.506 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.84 109.78 18.57 Favored Pre-proline 0 N--CA 1.473 0.723 0 C-N-CA 125.211 1.404 . . . . 0.0 110.459 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -70.32 130.02 17.96 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 124.18 3.253 . . . . 0.0 111.861 169.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.56 142.5 46.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.201 1.801 . . . . 0.0 111.26 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 159.34 20.95 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.316 -0.865 . . . . 0.0 111.244 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.61 -19.93 59.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.546 1.139 . . . . 0.0 113.62 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.95 -14.18 61.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.95 1.3 . . . . 0.0 113.358 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.52 162.9 16.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.659 1.984 . . . . 0.0 112.593 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.22 139.16 49.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.044 1.338 . . . . 0.0 111.175 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.63 110.26 2.77 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 128.073 2.549 . . . . 0.0 111.69 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -71.07 149.96 59.46 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.295 2.664 . . . . 0.0 110.8 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.03 -29.95 15.52 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.538 1.542 . . . . 0.0 115.06 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -140.08 160.33 40.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 112.695 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -156.33 148.05 22.83 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.131 1.372 . . . . 0.0 112.033 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 125.51 27.0 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.906 -1.122 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.7 m -92.74 163.78 13.62 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.693 1.197 . . . . 0.0 112.801 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -66.34 -14.77 62.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.53 -17.05 64.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.97 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 12.7 61.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.078 1.323 . . . . 0.0 113.572 -173.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.0 tpp -114.55 148.45 37.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.753 1.621 . . . . 0.0 111.544 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.18 110.04 3.31 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.946 0.898 . . . . 0.0 110.492 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.36 147.28 20.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.711 1.148 . . . . 0.0 112.619 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.6 m -108.82 137.65 46.41 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.819 0.848 . . . . 0.0 111.951 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 125.484 1.514 . . . . 0.0 113.187 -173.403 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.94 107.44 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 124.317 1.047 . . . . 0.0 109.211 175.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.59 14.82 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.625 0.77 . . . . 0.0 110.516 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -116.84 149.14 40.52 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.899 1.28 . . . . 0.0 109.721 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -137.46 137.36 38.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.855 0.862 . . . . 0.0 111.927 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -104.04 123.46 47.25 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.371 1.468 . . . . 0.0 111.539 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -78.64 178.19 8.03 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.166 1.386 . . . . 0.0 111.765 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.16 -15.92 61.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.19 3.01 55.9 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.238 0.926 . . . . 0.0 112.668 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 5.77 88.27 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.2 1.381 . . . . 0.0 114.916 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.37 120.04 20.28 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.806 1.303 . . . . 0.0 109.229 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.45 129.59 49.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.796 0.838 . . . . 0.0 111.941 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -127.47 163.04 24.97 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.555 1.542 . . . . 0.0 111.651 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.95 138.41 46.36 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.433 1.093 . . . . 0.0 110.33 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.13 110.02 31.25 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.621 1.169 . . . . 0.0 109.45 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.82 128.34 11.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.353 2.702 . . . . 0.0 110.803 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.41 140.66 48.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.429 1.492 . . . . 0.0 110.955 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.91 159.82 22.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.191 -0.943 . . . . 0.0 111.531 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.42 -19.88 57.74 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 113.68 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.83 -12.44 60.68 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.984 1.314 . . . . 0.0 113.48 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.5 174.37 6.59 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.144 2.178 . . . . 0.0 112.736 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.59 164.19 28.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.052 1.741 . . . . 0.0 111.696 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.35 110.05 28.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 127.651 2.38 . . . . 0.0 111.066 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.48 151.64 53.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.703 2.935 . . . . 0.0 111.093 166.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.91 15.79 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.755 1.645 . . . . 0.0 115.323 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.94 41.04 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 112.724 171.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -157.13 147.98 21.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.316 1.446 . . . . 0.0 111.839 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 125.93 28.18 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.858 -1.151 . . . . 0.0 111.632 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.02 161.04 16.8 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.44 1.096 . . . . 0.0 112.187 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -64.09 -16.79 62.53 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.1 -17.12 64.2 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.979 1.312 . . . . 0.0 113.099 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.06 62.59 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.195 1.378 . . . . 0.0 113.484 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.6 tpp -114.87 147.02 40.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 111.555 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.58 110.13 3.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.008 0.923 . . . . 0.0 110.549 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.5 148.65 20.68 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.779 1.18 . . . . 0.0 112.971 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.5 m -109.55 138.18 46.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 112.037 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 tp . . . . . 0 CA--C 1.54 0.559 0 C-N-CA 125.647 1.579 . . . . 0.0 114.75 -172.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.06 110.01 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 160.04 14.58 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.983 0.913 . . . . 0.0 110.122 163.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -113.8 155.58 25.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.375 1.07 . . . . 0.0 110.268 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -142.79 141.43 31.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.82 0.848 . . . . 0.0 111.537 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -106.93 123.67 48.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.185 1.794 . . . . 0.0 111.414 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -77.58 178.21 7.45 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.298 1.439 . . . . 0.0 111.653 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.16 -15.96 61.97 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -91.34 3.53 54.68 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.233 0.924 . . . . 0.0 112.889 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 5.35 89.49 Favored Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.153 1.359 . . . . 0.0 114.62 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.83 120.14 19.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.486 1.143 . . . . 0.0 108.766 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.43 132.74 48.26 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.578 0.704 . . . . 0.0 111.94 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -126.85 163.17 24.21 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.985 1.714 . . . . 0.0 111.426 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.94 134.26 52.29 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.071 1.348 . . . . 0.0 110.158 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.27 110.03 34.63 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 124.554 1.142 . . . . 0.0 109.65 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.5 119.94 4.27 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.318 2.679 . . . . 0.0 111.293 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.75 142.76 33.35 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.931 1.692 . . . . 0.0 111.367 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.2 26.6 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.272 -0.893 . . . . 0.0 111.46 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.69 -19.99 53.35 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.83 -12.03 60.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.037 1.335 . . . . 0.0 113.474 172.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.95 173.51 7.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.991 2.117 . . . . 0.0 112.92 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.03 166.15 23.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.11 1.764 . . . . 0.0 111.602 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -89.04 110.03 35.09 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.221 2.209 . . . . 0.0 110.115 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.22 151.46 54.81 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.683 2.922 . . . . 0.0 110.816 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.89 15.58 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.634 1.587 . . . . 0.0 115.184 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.94 159.56 41.9 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.203 1.001 . . . . 0.0 112.494 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.9 148.01 21.98 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.362 1.465 . . . . 0.0 111.92 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 125.41 26.69 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.891 -1.13 . . . . 0.0 111.487 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.66 163.12 14.22 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.52 1.128 . . . . 0.0 112.5 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -68.38 -11.7 60.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.65 -17.14 64.04 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.626 1.17 . . . . 0.0 112.846 168.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 12.85 61.51 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.264 1.411 . . . . 0.0 113.582 -173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.1 tpp -114.22 147.18 39.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.46 1.504 . . . . 0.0 111.546 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.34 110.06 3.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 110.45 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.01 148.87 21.13 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.407 1.003 . . . . 0.0 112.851 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 m -108.41 138.01 45.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.984 0.914 . . . . 0.0 111.888 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 125.997 1.719 . . . . 0.0 111.682 -171.839 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.396 0.617 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.02 108.2 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 121.243 -0.911 . . . . 0.0 108.554 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.88 165.14 12.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.765 1.226 . . . . 0.0 111.321 168.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -114.95 149.35 37.44 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.228 1.411 . . . . 0.0 111.001 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.12 142.98 38.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.033 0.933 . . . . 0.0 111.341 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -109.22 125.03 51.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.487 1.915 . . . . 0.0 111.009 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.9 p -77.24 176.27 8.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.789 1.235 . . . . 0.0 111.277 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.3 -11.74 59.94 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.353 -0.842 . . . . 0.0 112.488 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.86 11.4 33.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.052 1.741 . . . . 0.0 111.61 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.61 -0.24 89.46 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 126.441 1.972 . . . . 0.0 114.945 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.39 120.12 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.457 0.703 . . . . 0.0 109.912 -167.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -102.43 130.84 49.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.521 0.677 . . . . 0.0 111.571 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -126.94 162.51 25.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.855 1.662 . . . . 0.0 111.401 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.0 136.39 49.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 111.283 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.0 110.05 24.61 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.01 1.324 . . . . 0.0 111.087 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.45 125.45 10.16 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.066 3.178 . . . . 0.0 112.056 168.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -108.42 141.84 39.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.532 1.933 . . . . 0.0 111.263 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.9 23.74 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.349 -0.845 . . . . 0.0 110.92 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.16 -19.99 56.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.434 1.094 . . . . 0.0 113.627 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.96 -13.35 61.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.933 1.293 . . . . 0.0 113.23 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.19 20.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.984 2.114 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 139.96 50.11 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.942 1.297 . . . . 0.0 111.06 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -55.68 110.15 2.08 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 127.737 2.415 . . . . 0.0 111.752 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.08 150.26 53.84 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.27 2.646 . . . . 0.0 110.786 168.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.13 -29.84 15.92 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.622 1.582 . . . . 0.0 115.096 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -139.99 159.98 40.95 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.066 0.933 . . . . 0.0 112.841 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -156.88 148.02 22.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.183 1.393 . . . . 0.0 112.402 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.94 125.8 27.83 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.763 -1.211 . . . . 0.0 111.791 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.6 m -95.07 164.02 13.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.699 1.199 . . . . 0.0 113.081 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -68.89 -13.88 62.69 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.87 -17.22 63.95 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 118.812 0.733 . . . . 0.0 112.511 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.92 14.66 54.58 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.544 1.545 . . . . 0.0 113.901 -177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.8 tpt -113.98 145.53 41.41 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.736 1.614 . . . . 0.0 111.262 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.57 110.03 1.03 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.163 0.985 . . . . 0.0 110.315 169.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.68 147.73 21.41 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.425 1.012 . . . . 0.0 112.135 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.9 m -105.24 140.4 38.45 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.834 -0.804 . . . . 0.0 111.304 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.032 1.333 . . . . 0.0 112.313 -177.455 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.04 110.0 21.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.18 -0.95 . . . . 0.0 108.523 177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.85 161.57 13.8 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.52 0.728 . . . . 0.0 110.093 165.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -123.46 151.69 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.661 1.184 . . . . 0.0 110.125 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -138.7 137.76 37.11 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.615 0.766 . . . . 0.0 112.273 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -104.13 123.12 46.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.692 1.597 . . . . 0.0 111.395 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -77.5 178.38 7.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.38 1.472 . . . . 0.0 111.898 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.77 -16.21 61.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -91.17 3.11 55.64 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.146 0.884 . . . . 0.0 112.815 171.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.93 88.61 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.074 1.321 . . . . 0.0 114.778 -169.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.79 120.01 19.76 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.58 1.19 . . . . 0.0 108.643 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -102.44 131.72 48.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.71 -0.619 . . . . 0.0 112.132 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -127.93 162.46 26.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.88 1.672 . . . . 0.0 111.471 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -109.89 137.94 46.97 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.367 1.467 . . . . 0.0 110.904 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.98 109.03 18.25 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.817 1.247 . . . . 0.0 110.141 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -71.08 130.0 17.06 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.081 3.188 . . . . 0.0 111.38 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -114.5 145.23 42.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.456 1.902 . . . . 0.0 110.969 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 155.58 20.52 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 111.28 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -19.87 58.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.424 1.09 . . . . 0.0 113.771 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -10.64 59.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.28 174.99 5.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.838 2.055 . . . . 0.0 112.179 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.21 160.08 38.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.355 1.462 . . . . 0.0 110.704 170.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.69 110.06 24.73 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 127.643 2.377 . . . . 0.0 110.269 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.31 151.77 60.49 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.367 2.711 . . . . 0.0 110.778 167.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.88 14.95 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.509 1.528 . . . . 0.0 115.071 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.2 p -139.97 158.71 43.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.029 0.915 . . . . 0.0 112.926 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -156.61 148.15 22.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.472 1.509 . . . . 0.0 111.866 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 126.94 31.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 111.511 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.53 165.4 13.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.552 1.141 . . . . 0.0 112.777 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -68.78 -13.61 62.51 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -69.7 -17.15 63.45 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 113.157 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.09 61.16 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.895 1.236 . . . . 0.0 113.657 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -112.69 147.74 36.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.372 1.469 . . . . 0.0 111.501 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.54 110.04 2.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.255 1.022 . . . . 0.0 110.353 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.1 148.85 19.98 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.582 1.087 . . . . 0.0 113.206 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 m -109.57 137.71 47.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.898 0.879 . . . . 0.0 112.04 175.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 tp . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.843 1.657 . . . . 0.0 115.358 -172.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.12 106.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 160.97 14.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.073 0.949 . . . . 0.0 111.139 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -115.43 150.34 36.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.333 1.453 . . . . 0.0 111.016 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -141.86 143.72 33.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.433 1.093 . . . . 0.0 111.678 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -110.07 124.98 52.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.54 1.936 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -79.63 178.4 8.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.197 1.399 . . . . 0.0 111.826 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.3 -16.1 61.9 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.28 2.54 56.3 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.146 0.885 . . . . 0.0 112.769 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.64 9.99 85.74 Favored Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.961 1.267 . . . . 0.0 114.59 -168.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.72 119.99 20.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.178 1.489 . . . . 0.0 108.752 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -102.48 130.27 49.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.773 0.829 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.99 164.1 23.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.564 1.546 . . . . 0.0 112.254 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.99 138.79 45.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.224 1.009 . . . . 0.0 111.786 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.01 110.0 24.59 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.794 1.637 . . . . 0.0 110.425 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -69.09 130.02 19.4 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.346 3.364 . . . . 0.0 112.233 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.62 142.2 47.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.321 1.848 . . . . 0.0 111.353 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.96 21.94 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.104 -0.998 . . . . 0.0 111.403 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.72 -19.98 60.12 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.209 1.004 . . . . 0.0 113.573 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.74 -12.68 60.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.003 1.321 . . . . 0.0 113.397 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.05 174.36 6.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.263 2.225 . . . . 0.0 112.735 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.49 165.14 25.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.202 1.801 . . . . 0.0 111.22 171.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.2 109.96 29.58 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 126.968 2.107 . . . . 0.0 109.732 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.03 153.97 71.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.618 2.878 . . . . 0.0 110.881 168.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.9 15.81 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.619 1.104 . . . . 0.0 115.02 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -142.47 159.89 41.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.207 1.004 . . . . 0.0 112.78 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -156.97 148.06 21.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.203 1.401 . . . . 0.0 112.262 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.15 123.99 22.59 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.952 -1.093 . . . . 0.0 111.538 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.9 m -92.26 166.46 12.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.669 1.188 . . . . 0.0 112.838 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -67.3 -15.67 63.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.067 . . . . 0.0 113.818 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.17 -17.12 63.77 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.076 1.35 . . . . 0.0 113.336 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 12.97 61.25 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.783 1.183 . . . . 0.0 113.617 -173.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -114.66 148.41 38.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.779 1.632 . . . . 0.0 111.24 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.25 109.96 3.31 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.894 0.878 . . . . 0.0 110.465 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.74 147.87 21.45 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.327 0.965 . . . . 0.0 112.605 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -106.71 137.82 44.04 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.985 0.914 . . . . 0.0 111.574 173.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.414 1.486 . . . . 0.0 110.791 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.9 mm -92.72 106.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 124.514 1.126 . . . . 0.0 109.062 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 160.16 14.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.804 0.841 . . . . 0.0 110.97 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -112.08 151.91 28.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.682 1.193 . . . . 0.0 110.614 169.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -140.88 141.75 34.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.255 1.022 . . . . 0.0 111.332 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -108.56 124.67 50.82 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.637 1.975 . . . . 0.0 111.019 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 p -79.65 178.39 8.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.989 1.316 . . . . 0.0 111.41 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.66 -16.37 61.7 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -89.36 1.85 55.22 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.157 0.89 . . . . 0.0 112.669 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.18 7.79 88.04 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 125.14 1.352 . . . . 0.0 114.779 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.61 120.03 18.65 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.668 1.234 . . . . 0.0 108.536 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.5 132.5 48.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.533 0.682 . . . . 0.0 112.05 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.85 163.36 23.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.712 1.605 . . . . 0.0 111.464 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 133.9 52.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.843 1.257 . . . . 0.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.07 110.09 38.44 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 124.756 1.222 . . . . 0.0 109.955 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.19 129.95 14.68 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.358 2.705 . . . . 0.0 111.278 171.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -119.56 140.81 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.771 1.628 . . . . 0.0 111.402 174.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.54 159.41 24.13 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.316 -0.865 . . . . 0.0 111.376 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.89 -19.95 54.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.925 1.29 . . . . 0.0 113.67 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.98 -13.48 61.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.918 1.287 . . . . 0.0 113.478 171.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.71 160.91 22.35 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.675 1.99 . . . . 0.0 112.557 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -131.5 141.69 49.8 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.044 1.338 . . . . 0.0 111.116 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.8 110.14 2.3 Favored Pre-proline 0 N--CA 1.472 0.625 0 C-N-CA 127.934 2.494 . . . . 0.0 111.407 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.86 149.9 54.57 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.288 2.659 . . . . 0.0 110.605 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.31 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.515 1.531 . . . . 0.0 115.307 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.07 159.72 41.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.159 0.979 . . . . 0.0 112.413 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -157.93 148.13 20.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.52 1.528 . . . . 0.0 111.872 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 125.94 28.22 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.969 -1.082 . . . . 0.0 111.951 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.0 m -92.02 162.97 14.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.66 1.184 . . . . 0.0 112.687 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.43 -14.58 63.06 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.41 -17.1 64.58 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.106 0.962 . . . . 0.0 112.83 169.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 12.89 60.23 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.304 1.43 . . . . 0.0 113.689 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -113.73 147.99 37.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.977 1.311 . . . . 0.0 111.321 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.04 109.96 2.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.313 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.65 149.14 23.22 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.47 1.033 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.1 m -107.05 138.62 42.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.961 0.904 . . . . 0.0 111.318 173.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.585 1.554 . . . . 0.0 110.669 -176.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.4 0.619 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.55 109.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 123.973 0.909 . . . . 0.0 108.659 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.27 15.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.22 1.008 . . . . 0.0 110.878 163.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -110.35 150.91 28.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.551 1.14 . . . . 0.0 110.322 169.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.12 139.64 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 110.933 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.93 124.02 49.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.92 1.688 . . . . 0.0 110.875 -177.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -76.98 177.63 7.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.892 1.277 . . . . 0.0 111.318 178.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.38 -16.03 61.35 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -88.66 1.64 54.69 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.183 0.901 . . . . 0.0 112.837 171.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.47 4.98 88.99 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.145 1.355 . . . . 0.0 114.68 -168.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.85 120.03 17.91 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.575 1.188 . . . . 0.0 108.728 -178.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.44 132.94 48.14 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.524 0.678 . . . . 0.0 111.915 -179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.88 160.46 31.75 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.523 1.529 . . . . 0.0 111.556 177.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -109.88 133.09 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.869 1.267 . . . . 0.0 110.918 -177.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.56 110.02 34.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 124.408 1.083 . . . . 0.0 109.88 178.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.41 118.46 3.93 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.374 2.716 . . . . 0.0 111.053 172.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -98.98 143.2 29.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.559 1.944 . . . . 0.0 111.438 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 157.11 26.92 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.375 -0.828 . . . . 0.0 110.972 174.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.04 -20.01 55.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.432 1.093 . . . . 0.0 113.67 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.87 -11.38 60.12 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.525 1.13 . . . . 0.0 113.311 173.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.41 161.97 18.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.738 2.015 . . . . 0.0 112.459 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.91 138.98 48.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.805 1.242 . . . . 0.0 111.357 174.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.61 110.16 2.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 127.637 2.375 . . . . 0.0 111.877 -173.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.37 153.21 66.28 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.388 2.725 . . . . 0.0 111.193 168.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.3 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.847 1.213 . . . . 0.0 115.238 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.3 p -142.72 160.11 40.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.337 1.068 . . . . 0.0 113.171 174.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -157.32 148.09 21.39 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.293 1.437 . . . . 0.0 112.246 -178.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 126.89 31.03 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.893 -1.129 . . . . 0.0 111.846 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.0 m -92.75 162.89 13.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.532 1.133 . . . . 0.0 112.578 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -67.35 -15.23 63.57 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -177.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.26 -17.14 64.67 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.141 0.976 . . . . 0.0 112.765 169.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.85 60.71 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.553 1.549 . . . . 0.0 113.63 -175.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.7 tpt -112.18 147.64 35.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.007 1.323 . . . . 0.0 111.397 177.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.14 110.01 2.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.981 0.913 . . . . 0.0 110.965 172.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.4 147.84 20.94 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.475 1.036 . . . . 0.0 112.533 176.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.0 m -107.08 139.8 40.91 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.8 -0.823 . . . . 0.0 111.686 173.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.634 -176.785 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.475 0 CA-C-O 121.512 0.672 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 110.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.489 1.116 . . . . 0.0 108.946 176.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 159.11 15.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 111.386 162.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -110.17 150.47 28.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.73 1.212 . . . . 0.0 110.328 167.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -139.38 140.83 37.56 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.339 1.056 . . . . 0.0 111.189 175.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -108.23 126.99 53.44 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.574 1.55 . . . . 0.0 111.722 -177.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -78.3 176.56 9.18 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.746 1.218 . . . . 0.0 111.246 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -79.42 -11.7 59.91 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.347 -0.845 . . . . 0.0 112.477 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -96.25 11.42 34.59 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.308 1.843 . . . . 0.0 111.549 175.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.16 89.11 Favored Glycine 0 N--CA 1.471 1.028 0 C-N-CA 126.552 2.025 . . . . 0.0 115.076 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.79 120.16 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.779 0.832 . . . . 0.0 110.818 -165.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.42 128.32 49.06 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.452 0.701 . . . . 0.0 111.565 -175.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.09 162.44 26.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.814 1.645 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -109.86 136.91 48.41 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.6 1.16 . . . . 0.0 111.178 -177.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -124.12 108.16 30.06 Favored Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 124.262 1.025 . . . . 0.0 109.992 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.09 118.4 4.03 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.341 2.694 . . . . 0.0 111.008 171.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.91 139.97 34.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.237 1.415 . . . . 0.0 111.282 173.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.34 160.88 22.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.89 0.876 . . . . 0.0 111.488 176.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.28 -21.35 48.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.093 1.357 . . . . 0.0 114.064 -176.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.42 -11.2 59.92 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.79 26.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.863 2.065 . . . . 0.0 112.553 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -136.17 145.6 45.95 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 112.154 174.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -57.95 110.1 2.28 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 128.263 2.625 . . . . 0.0 112.306 -168.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.83 150.61 44.56 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.306 2.671 . . . . 0.0 110.946 166.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.98 -29.89 15.08 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.826 1.679 . . . . 0.0 115.248 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.02 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.099 0.95 . . . . 0.0 112.801 172.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -157.46 148.04 21.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.158 1.383 . . . . 0.0 112.249 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 126.33 29.38 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.822 -1.174 . . . . 0.0 112.003 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.99 164.22 13.17 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 112.824 -178.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -68.43 -14.67 63.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -176.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -68.63 -17.07 64.04 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 121.638 0.733 . . . . 0.0 112.62 168.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.51 13.5 56.94 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.559 1.552 . . . . 0.0 113.779 -177.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 tpt -111.36 149.01 31.77 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.799 1.64 . . . . 0.0 111.285 176.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.12 109.89 2.77 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.528 0.731 . . . . 0.0 110.053 171.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.55 148.56 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.69 1.138 . . . . 0.0 112.25 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.1 m -106.26 140.2 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.724 -0.868 . . . . 0.0 111.369 172.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.426 1.49 . . . . 0.0 112.725 -178.083 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.255 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.12 101.82 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 123.88 0.872 . . . . 0.0 108.948 173.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.33 145.08 29.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.765 0.826 . . . . 0.0 111.634 176.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -101.03 151.14 22.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.193 0.997 . . . . 0.0 112.354 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.33 142.82 31.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.11 0.964 . . . . 0.0 111.566 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -109.39 126.28 53.27 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.115 1.766 . . . . 0.0 111.523 -179.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 p -77.15 176.22 8.92 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.919 1.288 . . . . 0.0 111.28 178.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.94 -11.62 60.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.374 -0.829 . . . . 0.0 112.468 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -96.2 11.44 34.42 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.126 1.77 . . . . 0.0 111.535 175.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.91 1.39 90.25 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 126.345 1.926 . . . . 0.0 114.941 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.53 120.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.732 0.766 . . . . 0.0 110.188 -167.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -102.52 127.87 49.4 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 111.391 -175.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -125.94 163.39 23.09 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.63 1.572 . . . . 0.0 111.73 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -111.19 131.94 54.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.221 1.408 . . . . 0.0 110.068 177.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.0 t -115.36 110.14 45.52 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.965 1.706 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.89 129.37 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.185 2.59 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.01 142.76 48.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.077 1.751 . . . . 0.0 111.028 174.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.05 159.19 20.26 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.035 -1.04 . . . . 0.0 111.466 176.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.91 -19.96 61.33 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.58 -13.92 61.1 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.838 1.255 . . . . 0.0 113.426 171.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.73 5.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.101 2.161 . . . . 0.0 112.619 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.75 167.15 21.05 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.003 1.721 . . . . 0.0 111.504 173.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 mm -91.7 109.38 36.31 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 126.501 1.92 . . . . 0.0 109.493 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.86 152.04 57.56 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.367 2.711 . . . . 0.0 110.749 168.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.85 15.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.648 1.594 . . . . 0.0 115.102 179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -140.0 159.35 42.37 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.226 1.013 . . . . 0.0 112.516 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -157.76 148.02 20.6 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.26 1.424 . . . . 0.0 112.298 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 124.95 25.23 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.826 -1.171 . . . . 0.0 111.822 -179.052 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.75 165.09 12.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.043 1.337 . . . . 0.0 113.018 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -68.65 -13.86 62.64 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -69.12 -17.13 63.81 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 118.855 0.752 . . . . 0.0 112.539 168.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.48 49.85 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.484 1.516 . . . . 0.0 113.879 -176.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.1 tpt -115.89 149.85 38.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.669 1.587 . . . . 0.0 111.514 176.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.79 110.03 2.68 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.684 0.794 . . . . 0.0 110.173 171.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.69 148.6 22.81 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.512 1.053 . . . . 0.0 112.212 175.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 m -106.41 137.93 43.5 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.744 -0.857 . . . . 0.0 111.691 173.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 C-N-CA 125.752 1.621 . . . . 0.0 111.917 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.24 108.33 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 154.37 17.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.298 1.039 . . . . 0.0 110.282 164.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -104.29 153.35 21.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.87 0.868 . . . . 0.0 110.358 169.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -139.32 138.16 36.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.581 1.153 . . . . 0.0 111.142 172.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 ttp85 -104.25 125.72 50.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -178.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.2 p -79.68 177.97 8.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.734 1.214 . . . . 0.0 111.761 178.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.46 -16.45 61.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -178.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.04 1.79 55.93 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.2 0.909 . . . . 0.0 112.871 171.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.09 88.8 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.931 1.253 . . . . 0.0 114.625 -168.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.26 120.0 18.27 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.541 1.171 . . . . 0.0 108.567 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.34 132.58 48.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.496 0.665 . . . . 0.0 111.6 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.43 159.97 30.59 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.625 1.57 . . . . 0.0 111.27 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.17 127.59 55.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.435 1.094 . . . . 0.0 110.414 -175.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -117.37 109.45 42.14 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 124.728 1.211 . . . . 0.0 109.432 -177.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.73 118.39 4.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.604 2.203 . . . . 0.0 110.923 172.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -98.05 143.38 28.66 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.827 1.651 . . . . 0.0 110.635 172.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.62 28.22 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.317 -0.865 . . . . 0.0 109.912 173.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -19.81 58.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.92 -15.14 62.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.256 1.022 . . . . 0.0 112.926 172.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.73 171.16 7.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.837 2.055 . . . . 0.0 112.17 176.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.12 148.63 43.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.745 1.618 . . . . 0.0 111.362 173.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -66.39 110.1 4.31 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 128.351 2.66 . . . . 0.0 111.652 -173.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.75 150.33 55.95 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.389 2.726 . . . . 0.0 110.914 167.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -29.95 14.86 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.697 1.618 . . . . 0.0 115.485 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -140.0 159.74 41.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.248 1.024 . . . . 0.0 112.506 171.065 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.82 148.06 23.58 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.326 1.45 . . . . 0.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 125.97 28.32 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.893 -1.13 . . . . 0.0 111.446 -179.411 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.2 m -92.55 161.94 14.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.448 1.099 . . . . 0.0 112.769 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -70.32 -10.78 59.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -175.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.78 -17.11 63.98 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.191 0.996 . . . . 0.0 112.663 167.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 12.73 61.51 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.418 1.485 . . . . 0.0 113.684 -174.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.5 tpp -112.75 146.87 38.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.556 1.542 . . . . 0.0 111.306 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.02 110.14 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.134 0.974 . . . . 0.0 110.241 175.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.87 148.56 20.38 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.461 1.029 . . . . 0.0 113.091 178.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -110.36 138.11 47.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.851 0.86 . . . . 0.0 112.036 175.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 126.072 1.749 . . . . 0.0 111.896 -170.584 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -87.89 107.45 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 173.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.96 166.1 11.77 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.929 0.892 . . . . 0.0 111.237 170.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.32 154.21 31.64 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.717 1.207 . . . . 0.0 110.76 169.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -141.79 141.67 33.19 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.863 1.265 . . . . 0.0 111.085 174.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -107.38 125.19 50.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.583 1.953 . . . . 0.0 110.666 -178.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -80.43 178.33 8.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.796 1.239 . . . . 0.0 111.82 -178.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.87 -16.55 61.58 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.58 2.16 56.08 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.173 0.897 . . . . 0.0 112.747 171.287 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.67 8.63 87.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.882 1.229 . . . . 0.0 114.614 -168.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.7 119.89 19.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.794 1.297 . . . . 0.0 108.265 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -102.54 132.78 48.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.219 0.608 . . . . 0.0 111.677 -178.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.0 163.15 27.09 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.236 1.414 . . . . 0.0 112.259 178.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.96 134.24 52.32 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.449 1.499 . . . . 0.0 110.892 -178.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.2 110.01 29.06 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.921 1.289 . . . . 0.0 110.736 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.14 130.08 18.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.354 3.369 . . . . 0.0 112.167 168.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.66 142.54 47.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.617 1.967 . . . . 0.0 111.251 171.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.5 157.12 24.96 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.239 -0.913 . . . . 0.0 110.799 174.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.24 -19.9 56.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.392 1.077 . . . . 0.0 113.836 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.92 -13.39 61.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.6 1.16 . . . . 0.0 113.215 172.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.61 162.12 18.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.03 2.132 . . . . 0.0 112.213 177.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -131.84 141.44 49.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.303 . . . . 0.0 111.064 172.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.34 110.09 2.22 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 127.789 2.436 . . . . 0.0 111.182 -173.238 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.46 149.83 56.83 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.269 2.646 . . . . 0.0 110.49 170.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.97 -29.97 15.17 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.503 1.525 . . . . 0.0 115.202 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 p -139.98 159.9 41.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.174 0.987 . . . . 0.0 112.257 170.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -157.16 148.03 21.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.626 1.57 . . . . 0.0 111.715 -178.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 125.03 25.31 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.958 -1.089 . . . . 0.0 111.635 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.63 165.51 14.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.371 1.069 . . . . 0.0 112.535 -179.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -67.14 -16.56 64.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.284 1.034 . . . . 0.0 113.65 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.03 -17.17 63.86 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.191 1.396 . . . . 0.0 113.388 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 11.6 63.21 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.839 1.209 . . . . 0.0 113.687 -173.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -111.15 147.1 35.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.741 1.616 . . . . 0.0 110.958 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.24 110.02 3.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.668 0.787 . . . . 0.0 110.33 175.099 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.06 149.14 21.92 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.543 1.068 . . . . 0.0 112.924 176.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 m -108.46 137.94 45.59 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.941 0.896 . . . . 0.0 111.776 174.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.912 1.685 . . . . 0.0 111.001 -174.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.609 0.719 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 108.84 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.102 0.961 . . . . 0.0 108.536 175.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.93 13.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 111.116 167.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.08 149.88 32.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.958 1.303 . . . . 0.0 110.64 170.299 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.83 140.89 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.02 0.928 . . . . 0.0 111.012 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -108.1 124.17 49.82 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.228 1.811 . . . . 0.0 111.204 -178.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -77.3 177.65 7.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.042 1.337 . . . . 0.0 111.353 178.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.4 -15.44 61.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.42 0.66 56.0 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.151 0.887 . . . . 0.0 112.739 170.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.93 4.79 88.39 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.224 1.392 . . . . 0.0 114.701 -168.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.68 120.03 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.7 1.25 . . . . 0.0 109.051 -178.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -102.37 134.39 45.75 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.646 0.736 . . . . 0.0 112.324 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.08 159.96 35.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.838 1.655 . . . . 0.0 111.715 178.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -112.44 128.95 56.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.439 1.496 . . . . 0.0 111.035 -174.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.54 110.0 32.37 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.549 1.14 . . . . 0.0 110.86 -177.185 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.67 123.55 8.13 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.035 3.157 . . . . 0.0 111.879 169.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.02 140.39 39.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.426 1.89 . . . . 0.0 111.395 171.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.86 160.12 24.85 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.41 -0.806 . . . . 0.0 111.182 175.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.38 -20.04 58.04 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.464 1.106 . . . . 0.0 113.57 178.417 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.95 -13.82 61.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.064 1.346 . . . . 0.0 113.471 172.009 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.34 160.67 22.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.716 2.007 . . . . 0.0 112.511 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -130.91 140.28 50.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.971 1.308 . . . . 0.0 111.177 172.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.4 mm -55.34 110.07 2.0 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 127.981 2.512 . . . . 0.0 111.872 -173.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.13 149.65 52.48 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.353 2.702 . . . . 0.0 110.715 168.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.89 15.82 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.665 1.602 . . . . 0.0 115.131 179.262 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.6 p -139.91 160.36 40.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.056 0.928 . . . . 0.0 112.853 171.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.05 146.81 22.0 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.074 1.35 . . . . 0.0 112.251 -179.132 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 125.55 27.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.764 -1.21 . . . . 0.0 111.596 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -96.59 163.23 13.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.802 1.241 . . . . 0.0 113.069 -177.038 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -68.47 -13.48 62.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -174.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.11 -17.05 64.7 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.999 0.92 . . . . 0.0 112.723 168.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.65 13.48 59.53 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.558 1.551 . . . . 0.0 113.728 -174.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.8 tpt -115.54 148.99 38.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.207 1.403 . . . . 0.0 111.521 178.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.66 110.04 2.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.82 0.848 . . . . 0.0 110.131 172.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.27 146.48 21.85 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.477 1.037 . . . . 0.0 112.158 175.21 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -105.72 140.02 39.41 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.852 -0.793 . . . . 0.0 111.584 173.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 125.309 1.443 . . . . 0.0 112.665 -177.539 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 mm -87.59 107.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 163.09 13.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.569 0.748 . . . . 0.0 110.97 170.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -120.11 148.85 43.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.949 1.3 . . . . 0.0 110.766 174.331 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -140.07 143.56 36.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.96 0.904 . . . . 0.0 111.843 176.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -109.25 125.25 52.08 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.88 2.072 . . . . 0.0 111.052 -178.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p -78.13 177.18 8.56 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.141 1.376 . . . . 0.0 111.401 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.07 -11.15 59.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.428 -0.795 . . . . 0.0 112.598 -178.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.47 11.83 37.01 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.431 1.892 . . . . 0.0 111.553 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.95 1.63 89.91 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.479 1.99 . . . . 0.0 115.151 -178.232 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.8 120.12 25.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.542 0.671 . . . . 0.0 110.21 -167.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -102.46 127.58 49.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.349 0.659 . . . . 0.0 111.684 -176.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -126.78 163.68 23.02 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.966 1.706 . . . . 0.0 111.651 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -109.92 138.26 46.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -126.49 110.04 23.27 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 125.077 1.351 . . . . 0.0 110.211 177.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -71.11 130.02 17.05 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.231 3.287 . . . . 0.0 111.759 169.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -117.26 142.31 47.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.518 1.927 . . . . 0.0 111.31 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.44 159.3 21.79 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 178.031 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.27 -20.38 58.79 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 176.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.74 -11.86 60.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.41 172.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.95 174.06 6.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.16 2.184 . . . . 0.0 112.753 -177.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -132.55 167.12 20.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.208 1.803 . . . . 0.0 111.102 171.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.0 mm -88.51 109.99 33.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 126.839 2.056 . . . . 0.0 109.431 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.38 151.92 60.21 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.564 2.842 . . . . 0.0 110.609 168.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.95 15.62 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.388 1.47 . . . . 0.0 115.075 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.3 p -140.07 160.09 40.73 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.286 1.043 . . . . 0.0 112.472 171.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.14 148.2 20.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.483 1.513 . . . . 0.0 111.994 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 125.79 27.39 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.828 -1.17 . . . . 0.0 111.984 -179.318 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.8 m -93.69 164.58 13.09 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.613 1.165 . . . . 0.0 112.701 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -67.65 -14.89 63.33 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -176.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.32 -17.11 63.68 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 118.792 0.724 . . . . 0.0 112.766 169.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.05 14.25 56.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.489 1.519 . . . . 0.0 113.965 -177.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.3 tpp -111.74 147.89 34.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.147 1.779 . . . . 0.0 110.779 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.52 110.03 4.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.667 -0.646 . . . . 0.0 109.996 172.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.28 149.35 27.59 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.233 0.92 . . . . 0.0 112.312 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 m -103.9 139.01 39.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.766 0.826 . . . . 0.0 111.445 172.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.259 1.423 . . . . 0.0 110.722 -176.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 121.043 0.449 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 109.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 121.065 -1.022 . . . . 0.0 108.254 170.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 154.4 17.33 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.229 1.012 . . . . 0.0 110.34 164.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -104.6 153.91 20.61 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.829 0.852 . . . . 0.0 110.218 168.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -140.3 139.25 35.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.603 1.161 . . . . 0.0 111.491 173.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.47 124.52 49.73 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.022 1.729 . . . . 0.0 111.363 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 177.07 8.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.626 1.17 . . . . 0.0 111.681 179.05 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.52 -14.96 61.31 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.19 0.41 56.11 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 119.141 0.882 . . . . 0.0 112.752 170.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.62 4.02 87.87 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.262 1.41 . . . . 0.0 114.766 -168.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.94 120.03 17.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.686 1.243 . . . . 0.0 109.126 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.35 132.72 48.15 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.538 0.685 . . . . 0.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.2 159.93 34.52 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.555 1.542 . . . . 0.0 111.718 178.567 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -110.01 131.62 54.9 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.827 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.44 108.83 31.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 110.198 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -75.18 123.21 7.62 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.662 2.908 . . . . 0.0 111.473 170.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.13 143.61 33.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.597 1.959 . . . . 0.0 111.061 171.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 159.39 21.66 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.386 -0.821 . . . . 0.0 111.009 174.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.54 -19.93 58.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.58 1.152 . . . . 0.0 113.581 178.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -72.01 -13.38 61.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.943 1.297 . . . . 0.0 113.333 172.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.24 167.53 11.77 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.137 2.175 . . . . 0.0 112.289 178.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.92 148.79 47.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.839 1.256 . . . . 0.0 111.716 170.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.21 110.13 3.23 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 128.224 2.61 . . . . 0.0 111.491 -172.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.6 149.81 55.99 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.266 2.644 . . . . 0.0 110.715 168.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.82 15.51 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.631 1.586 . . . . 0.0 115.458 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.0 p -140.13 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.16 0.98 . . . . 0.0 112.399 171.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.97 148.04 23.34 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.331 1.452 . . . . 0.0 112.067 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 125.12 26.23 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.053 -1.029 . . . . 0.0 111.589 -177.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.6 m -95.41 163.7 13.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.927 1.291 . . . . 0.0 113.111 -177.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -71.05 -11.02 60.73 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.83 -17.14 64.41 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.146 0.979 . . . . 0.0 112.568 166.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.13 16.09 54.57 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.481 1.515 . . . . 0.0 113.759 -175.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.83 149.34 41.69 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.147 1.379 . . . . 0.0 111.659 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -63.77 110.02 1.92 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.991 0.916 . . . . 0.0 110.261 171.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.97 148.18 21.42 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.59 1.091 . . . . 0.0 112.331 175.276 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -108.26 138.0 45.28 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.605 -0.938 . . . . 0.0 112.142 175.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 126.082 1.753 . . . . 0.0 111.839 -171.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.92 0.867 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -83.45 107.27 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.141 0.976 . . . . 0.0 108.641 174.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 162.48 13.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.81 1.244 . . . . 0.0 111.231 168.122 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -113.51 147.75 37.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.141 1.376 . . . . 0.0 110.529 171.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -138.65 142.47 39.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.149 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -110.03 125.06 52.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 111.002 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.22 178.82 7.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.329 1.451 . . . . 0.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.42 -16.34 61.83 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.12 3.15 55.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.164 0.893 . . . . 0.0 112.951 171.34 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.16 6.63 89.24 Favored Glycine 0 N--CA 1.47 0.939 0 C-N-CA 124.995 1.284 . . . . 0.0 114.634 -168.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.57 120.14 17.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.433 1.117 . . . . 0.0 108.385 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -102.46 131.71 48.95 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.106 0.562 . . . . 0.0 111.409 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -127.21 164.15 22.33 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.654 1.582 . . . . 0.0 111.831 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.28 136.5 50.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.413 1.085 . . . . 0.0 110.827 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.67 110.06 33.89 Favored Pre-proline 0 N--CA 1.471 0.589 0 C-N-CA 125.036 1.334 . . . . 0.0 110.118 179.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.0 119.4 5.07 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.514 2.81 . . . . 0.0 111.453 172.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -102.11 139.98 37.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.555 1.542 . . . . 0.0 111.155 172.231 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 163.61 24.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.578 0.751 . . . . 0.0 112.283 -176.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -50.56 -26.51 5.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.62 1.568 . . . . 0.0 113.961 172.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.24 -11.86 59.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.648 1.579 . . . . 0.0 113.917 178.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.43 158.7 33.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.782 1.633 . . . . 0.0 113.324 -173.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.75 149.14 52.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.183 1.393 . . . . 0.0 111.902 177.398 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.9 mm -65.04 110.16 3.84 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 128.727 2.811 . . . . 0.0 112.607 -170.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.98 150.45 48.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.654 2.902 . . . . 0.0 111.127 166.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.97 15.1 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.855 1.693 . . . . 0.0 115.494 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.0 p -139.94 159.43 42.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.123 0.969 . . . . 0.0 112.656 172.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.23 148.03 19.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.128 1.371 . . . . 0.0 112.326 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 125.45 26.67 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.794 -1.191 . . . . 0.0 111.94 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -89.53 165.19 14.44 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.498 1.119 . . . . 0.0 112.495 -179.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -67.74 -16.1 63.96 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.25 -17.04 63.72 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.161 1.384 . . . . 0.0 113.247 170.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.93 12.68 61.78 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.035 1.302 . . . . 0.0 113.696 -174.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.3 tpp -112.08 146.2 38.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.594 1.558 . . . . 0.0 110.937 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.32 110.03 3.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.664 0.785 . . . . 0.0 110.475 175.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.53 149.59 22.75 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.382 0.991 . . . . 0.0 113.053 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -107.31 140.63 39.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.91 0.884 . . . . 0.0 111.34 172.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 125.395 1.478 . . . . 0.0 113.142 -176.741 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 mm -88.63 110.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 124.266 1.026 . . . . 0.0 109.13 169.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.91 154.41 17.32 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.424 0.631 . . . . 0.0 110.367 162.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -108.19 151.53 25.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.086 0.954 . . . . 0.0 109.594 167.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.58 137.78 38.89 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.878 0.871 . . . . 0.0 111.002 173.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -104.18 125.43 50.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 110.965 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -77.91 176.71 8.85 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.786 1.234 . . . . 0.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.36 -12.13 59.99 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.339 -0.851 . . . . 0.0 112.463 -178.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.96 11.53 33.61 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.105 1.762 . . . . 0.0 111.711 175.067 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.77 0.55 89.51 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 126.427 1.965 . . . . 0.0 115.087 -178.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.83 120.1 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.261 0.624 . . . . 0.0 110.072 -167.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -102.42 130.46 49.2 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.706 0.765 . . . . 0.0 112.071 -177.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -129.95 160.21 34.29 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.379 1.471 . . . . 0.0 111.677 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.99 132.79 53.84 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.474 1.11 . . . . 0.0 110.723 -173.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 t -120.11 109.57 37.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.121 0.968 . . . . 0.0 109.123 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.16 128.33 10.51 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.027 2.484 . . . . 0.0 110.736 173.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -116.07 143.92 44.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.817 1.647 . . . . 0.0 110.807 175.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 159.82 19.25 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.246 -0.909 . . . . 0.0 111.024 173.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.73 -20.0 60.21 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.579 1.151 . . . . 0.0 113.523 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -13.76 61.74 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.834 1.254 . . . . 0.0 113.356 172.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.41 162.67 17.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.739 2.016 . . . . 0.0 112.456 178.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.32 139.43 48.18 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.863 1.265 . . . . 0.0 111.362 173.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -59.14 110.2 2.49 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 128.244 2.617 . . . . 0.0 111.932 -174.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.4 149.93 51.35 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.376 2.717 . . . . 0.0 110.941 168.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -30.01 15.67 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.681 1.61 . . . . 0.0 115.589 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -139.92 160.4 40.0 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.235 1.017 . . . . 0.0 112.369 171.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -157.52 148.09 21.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.135 1.374 . . . . 0.0 112.368 -178.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 125.89 27.79 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.875 -1.141 . . . . 0.0 111.736 -178.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.7 m -94.38 165.57 12.5 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.886 1.275 . . . . 0.0 113.113 -178.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -66.47 -20.01 65.94 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -69.08 -17.11 63.83 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.632 0.773 . . . . 0.0 112.895 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.65 13.91 54.18 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.633 1.587 . . . . 0.0 114.012 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 tpt -110.74 148.54 32.1 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.894 1.678 . . . . 0.0 110.855 175.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.58 110.06 3.53 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.608 -0.682 . . . . 0.0 109.833 171.459 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.51 26.53 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.598 1.094 . . . . 0.0 112.305 176.095 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.1 m -106.25 138.2 42.85 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.93 -0.747 . . . . 0.0 111.867 174.094 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 125.624 1.57 . . . . 0.0 115.025 -175.297 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.487 0.66 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.38 108.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 155.3 16.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.229 1.012 . . . . 0.0 110.436 164.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -105.61 151.73 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.978 0.911 . . . . 0.0 110.489 168.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.3 137.76 37.74 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.299 1.039 . . . . 0.0 111.445 173.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -104.82 124.09 48.83 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.819 1.647 . . . . 0.0 111.259 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.77 177.89 7.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.09 1.356 . . . . 0.0 111.697 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.17 -16.03 61.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.77 2.54 55.94 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.232 0.924 . . . . 0.0 112.899 171.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.04 88.68 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 125.14 1.352 . . . . 0.0 114.753 -169.272 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.87 120.05 18.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.515 1.157 . . . . 0.0 108.841 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -102.42 132.24 48.56 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.479 0.656 . . . . 0.0 112.35 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.07 160.9 32.3 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -109.96 133.28 53.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.721 1.208 . . . . 0.0 110.998 -176.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 t -121.12 109.84 35.04 Favored Pre-proline 0 N--CA 1.47 0.526 0 C-N-CA 124.376 1.071 . . . . 0.0 109.456 178.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.5 118.42 3.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.218 2.612 . . . . 0.0 111.13 173.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -101.39 141.38 34.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.888 1.675 . . . . 0.0 111.271 174.307 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.74 26.51 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.375 -0.828 . . . . 0.0 111.028 174.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.34 -19.97 50.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.823 1.249 . . . . 0.0 113.749 178.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.08 -12.57 61.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.872 1.269 . . . . 0.0 113.369 172.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.83 160.84 23.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.812 2.045 . . . . 0.0 112.665 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.08 141.04 50.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.06 1.344 . . . . 0.0 111.304 174.01 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -57.3 110.07 2.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 128.205 2.602 . . . . 0.0 111.677 -173.723 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.66 150.05 49.99 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.325 2.683 . . . . 0.0 110.689 168.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.95 -29.91 14.96 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.552 -179.184 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -140.33 159.76 41.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.295 1.048 . . . . 0.0 112.329 171.343 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -156.97 148.0 21.87 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.294 1.438 . . . . 0.0 112.058 -179.02 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 125.12 25.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.976 -1.078 . . . . 0.0 111.636 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.6 m -92.04 165.08 13.37 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.486 1.115 . . . . 0.0 112.736 -178.689 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -64.77 -19.47 65.83 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.06 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -67.74 -17.03 64.41 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.896 1.278 . . . . 0.0 113.0 172.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.86 13.44 60.84 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.243 1.402 . . . . 0.0 113.758 -174.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -113.29 147.48 37.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.708 1.603 . . . . 0.0 111.158 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.71 109.97 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.654 0.782 . . . . 0.0 110.301 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.12 149.39 22.98 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.422 1.01 . . . . 0.0 112.81 176.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.9 m -109.09 137.89 46.29 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.941 0.897 . . . . 0.0 112.022 174.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 126.188 1.795 . . . . 0.0 111.769 -171.033 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.54 0.686 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.64 107.85 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.465 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.54 14.28 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.544 1.138 . . . . 0.0 110.745 166.023 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -113.02 151.17 30.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.744 1.218 . . . . 0.0 110.855 172.176 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -141.23 142.1 33.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.322 1.049 . . . . 0.0 111.689 175.76 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -109.97 124.26 51.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.973 2.109 . . . . 0.0 110.813 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -80.96 179.03 8.04 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.11 1.364 . . . . 0.0 111.633 -177.302 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.81 -16.4 62.17 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.38 3.09 55.76 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.162 0.892 . . . . 0.0 112.814 170.867 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 8.8 87.22 Favored Glycine 0 N--CA 1.469 0.899 0 C-N-CA 125.058 1.313 . . . . 0.0 114.884 -168.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.37 120.0 19.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.564 1.182 . . . . 0.0 108.666 -179.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.56 129.95 49.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.749 0.819 . . . . 0.0 112.078 -177.381 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -128.97 162.7 26.99 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.468 1.507 . . . . 0.0 112.045 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mp0 -109.92 133.95 52.62 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.682 1.193 . . . . 0.0 111.144 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.19 110.09 34.73 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.674 1.19 . . . . 0.0 109.892 178.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.91 120.12 4.96 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.53 2.82 . . . . 0.0 111.739 172.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -103.0 141.93 34.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.262 1.825 . . . . 0.0 111.554 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.56 158.68 25.69 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.403 -0.811 . . . . 0.0 111.241 175.33 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.65 -19.95 52.78 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.844 1.258 . . . . 0.0 113.758 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.98 -13.4 61.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.817 1.247 . . . . 0.0 113.353 172.281 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.83 161.79 20.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.717 2.007 . . . . 0.0 112.824 -178.302 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.13 143.14 50.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.16 1.384 . . . . 0.0 111.334 173.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.44 110.17 2.67 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 128.142 2.577 . . . . 0.0 111.488 -172.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -69.59 152.75 70.22 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.354 2.703 . . . . 0.0 111.024 168.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.86 15.66 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.802 1.191 . . . . 0.0 115.193 177.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 p -142.12 159.79 41.53 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.255 1.028 . . . . 0.0 112.886 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -157.93 148.03 20.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.227 1.411 . . . . 0.0 112.514 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 125.16 25.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.856 -1.153 . . . . 0.0 111.808 -179.694 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.97 165.73 13.06 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 -177.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -64.28 -20.31 65.98 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.042 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.17 -17.16 64.72 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.806 1.242 . . . . 0.0 113.123 173.254 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 14.48 59.13 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.194 1.378 . . . . 0.0 113.581 -174.493 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -115.07 147.54 40.04 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 111.325 178.047 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.47 110.01 3.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 110.431 174.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 148.67 21.14 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.487 1.041 . . . . 0.0 112.94 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.9 m -108.29 138.53 44.42 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.032 0.933 . . . . 0.0 111.758 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 125.666 1.586 . . . . 0.0 111.927 -172.439 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.39 109.91 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 121.035 -1.041 . . . . 0.0 108.739 172.439 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 159.8 14.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.177 0.991 . . . . 0.0 110.991 166.493 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -111.91 149.35 32.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.869 1.268 . . . . 0.0 110.423 171.155 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -139.18 142.94 37.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.312 1.045 . . . . 0.0 110.911 176.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.9 125.8 53.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.319 1.847 . . . . 0.0 111.14 -178.379 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.2 p -79.45 177.89 8.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.821 1.248 . . . . 0.0 111.556 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.44 -15.97 61.82 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.164 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 1.81 55.39 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.138 0.881 . . . . 0.0 112.832 170.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.79 7.55 87.88 Favored Glycine 0 N--CA 1.469 0.863 0 C-N-CA 125.025 1.298 . . . . 0.0 114.644 -168.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.87 120.07 18.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.737 1.268 . . . . 0.0 108.787 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -102.51 129.92 49.19 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.479 0.712 . . . . 0.0 111.511 -176.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -126.8 162.72 25.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.991 1.716 . . . . 0.0 111.509 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.96 138.53 46.21 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.228 1.011 . . . . 0.0 110.684 177.337 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.1 t -123.53 110.04 30.44 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.725 1.21 . . . . 0.0 110.203 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.88 123.55 6.89 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.483 2.789 . . . . 0.0 111.703 173.067 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -108.46 143.3 37.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.393 1.877 . . . . 0.0 111.181 173.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 159.27 20.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.915 172.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.41 -19.89 57.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.49 1.116 . . . . 0.0 113.677 178.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -12.42 61.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.797 1.239 . . . . 0.0 113.288 172.206 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.62 162.54 18.22 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.837 2.055 . . . . 0.0 112.407 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -132.3 140.68 48.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.944 1.297 . . . . 0.0 111.259 173.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.1 mm -58.91 110.22 2.48 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 128.044 2.538 . . . . 0.0 111.79 -174.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.36 153.05 66.49 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.36 2.707 . . . . 0.0 111.184 168.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.94 15.62 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.893 1.235 . . . . 0.0 115.109 175.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.2 p -142.19 159.75 41.61 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.299 1.049 . . . . 0.0 113.276 174.247 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -157.02 147.91 21.72 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.914 1.286 . . . . 0.0 112.642 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 124.79 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.039 -1.038 . . . . 0.0 111.566 -178.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.24 163.5 13.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.741 1.216 . . . . 0.0 112.911 -177.571 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -69.1 -12.26 61.52 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -174.561 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.24 -17.12 64.22 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.199 1.0 . . . . 0.0 112.759 167.51 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.91 14.21 58.18 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.436 1.493 . . . . 0.0 113.743 -174.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -115.63 148.8 39.23 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 177.563 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -62.84 110.08 1.65 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.038 0.935 . . . . 0.0 110.285 171.14 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.46 146.74 21.03 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.205 0.907 . . . . 0.0 112.1 173.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.1 m -105.16 140.2 38.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.753 -0.851 . . . . 0.0 111.42 172.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 125.364 1.466 . . . . 0.0 112.22 -178.278 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.76 107.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.327 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.96 13.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.321 1.048 . . . . 0.0 109.978 167.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -116.97 155.77 28.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.875 0.87 . . . . 0.0 110.172 168.108 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.106 0.962 . . . . 0.0 111.779 176.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -104.39 124.0 48.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.873 1.669 . . . . 0.0 111.753 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -77.36 177.79 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.29 1.436 . . . . 0.0 111.783 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.74 -16.23 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.683 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.82 1.5 55.17 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.082 0.856 . . . . 0.0 112.687 171.303 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.58 7.29 87.66 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.126 1.346 . . . . 0.0 114.723 -168.661 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.91 119.18 18.73 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.814 1.307 . . . . 0.0 108.627 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -102.56 130.89 49.55 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.555 0.742 . . . . 0.0 112.002 -177.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.0 163.29 26.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.568 1.547 . . . . 0.0 112.087 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.97 134.3 52.25 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.441 1.496 . . . . 0.0 110.108 -175.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.62 110.08 30.23 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 124.383 1.073 . . . . 0.0 109.798 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.32 124.67 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.647 2.898 . . . . 0.0 111.757 173.425 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -111.02 140.31 45.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.163 1.785 . . . . 0.0 111.96 176.247 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.32 160.94 25.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 0.0 111.547 175.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.91 -19.83 53.89 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.756 1.222 . . . . 0.0 113.747 178.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.03 -12.58 61.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.922 1.289 . . . . 0.0 113.211 173.003 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.53 159.86 29.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.487 1.915 . . . . 0.0 112.688 -179.188 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -132.0 136.97 47.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.143 1.377 . . . . 0.0 110.747 176.139 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.35 110.02 1.97 Allowed Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 127.502 2.321 . . . . 0.0 111.626 -171.348 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.3 149.28 56.87 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.213 2.608 . . . . 0.0 110.765 170.627 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.62 -29.94 12.86 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.615 1.579 . . . . 0.0 115.364 -179.359 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.9 p -139.99 159.74 41.49 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.216 1.008 . . . . 0.0 112.288 170.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.92 148.06 22.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.538 1.535 . . . . 0.0 112.097 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.71 123.98 22.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.913 -1.117 . . . . 0.0 111.73 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.07 166.46 13.41 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.64 1.176 . . . . 0.0 112.849 -178.266 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -67.93 -17.17 64.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.237 1.015 . . . . 0.0 113.707 -175.297 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.05 -17.1 63.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.091 1.356 . . . . 0.0 113.33 169.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.95 16.37 56.27 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.125 1.345 . . . . 0.0 113.89 -175.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -116.51 149.14 40.05 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.141 1.377 . . . . 0.0 111.369 176.515 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.84 110.01 3.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.604 0.762 . . . . 0.0 110.549 174.211 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.9 150.36 22.97 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.69 1.138 . . . . 0.0 112.921 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.2 m -108.71 137.81 46.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.837 0.855 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 126.333 1.853 . . . . 0.0 112.041 -169.708 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.455 0.645 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.37 108.44 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 173.464 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 160.02 14.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.645 1.178 . . . . 0.0 110.784 167.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.02 150.85 28.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.593 1.157 . . . . 0.0 110.698 170.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.51 142.64 37.26 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.443 1.097 . . . . 0.0 111.252 174.647 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -110.11 126.84 54.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 111.047 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.9 p -79.32 176.79 9.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 111.495 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -78.42 -11.61 59.96 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.47 -0.768 . . . . 0.0 112.468 -178.512 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -97.78 11.94 35.54 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.354 1.862 . . . . 0.0 111.631 175.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.38 1.17 89.96 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 126.388 1.947 . . . . 0.0 115.051 -178.159 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -84.81 120.1 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.584 0.692 . . . . 0.0 110.141 -167.216 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -102.46 129.0 48.83 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.387 0.675 . . . . 0.0 111.496 -174.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.98 162.67 28.14 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.575 1.55 . . . . 0.0 112.248 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -110.0 136.67 48.9 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.727 1.211 . . . . 0.0 112.081 -177.15 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.77 110.02 22.47 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.673 1.189 . . . . 0.0 110.669 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -73.9 126.22 10.5 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.933 3.089 . . . . 0.0 111.887 169.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.18 142.9 41.08 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.588 1.955 . . . . 0.0 111.315 171.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 158.01 22.11 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.414 -0.803 . . . . 0.0 111.375 175.576 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.01 -19.93 55.11 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.125 1.37 . . . . 0.0 113.825 -176.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.82 -12.28 60.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.84 160.5 16.7 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.91 2.084 . . . . 0.0 112.224 175.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.84 141.61 49.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.726 1.21 . . . . 0.0 111.104 172.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.89 110.12 2.19 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 127.889 2.475 . . . . 0.0 111.28 -173.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.59 150.14 56.58 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.318 2.679 . . . . 0.0 110.499 169.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.92 15.43 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.378 1.466 . . . . 0.0 115.229 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.96 159.6 41.81 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.196 0.998 . . . . 0.0 112.544 171.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.6 t-105 -157.13 148.04 21.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.393 1.477 . . . . 0.0 112.272 -179.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 125.33 26.1 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.869 -1.145 . . . . 0.0 111.815 -178.834 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.9 m -94.34 165.89 12.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.608 1.163 . . . . 0.0 113.013 -178.096 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -66.23 -18.89 65.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -68.69 -17.13 64.02 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.614 0.766 . . . . 0.0 112.825 171.701 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 13.99 57.99 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.478 1.513 . . . . 0.0 114.092 -176.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 tpp -110.86 144.77 39.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.374 1.869 . . . . 0.0 110.304 175.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -61.8 110.07 1.42 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.872 0.844 . . . . 0.0 110.965 169.111 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.05 148.75 23.48 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.656 1.122 . . . . 0.0 112.332 175.164 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.4 m -106.08 139.06 41.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 111.382 173.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 125.602 1.561 . . . . 0.0 111.062 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.34 168.54 20.24 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.35 1.46 . . . . 0.0 111.898 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.51 151.21 44.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.987 1.315 . . . . 0.0 111.594 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.39 -44.7 74.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.091 0.956 . . . . 0.0 112.266 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -131.0 149.98 52.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.407 2.283 . . . . 0.0 111.344 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -151.78 145.1 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.192 1.397 . . . . 0.0 111.463 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.55 124.38 42.7 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.075 1.35 . . . . 0.0 109.358 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -153.01 151.76 30.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.77 1.628 . . . . 0.0 111.826 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.19 172.48 27.25 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 124.436 1.017 . . . . 0.0 113.284 -167.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 m -136.04 28.34 3.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.294 2.638 . . . . 0.0 112.407 3.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -61.52 -30.9 70.92 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.172 1.389 . . . . 0.0 113.351 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -94.71 16.4 15.81 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.966 1.706 . . . . 0.0 112.439 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.19 -164.66 38.71 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.031 1.301 . . . . 0.0 113.168 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.93 164.55 33.38 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.878 2.471 . . . . 0.0 112.053 1.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.33 154.38 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.602 1.161 . . . . 0.0 112.635 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -90.19 168.35 12.01 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.338 1.455 . . . . 0.0 112.533 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 46.5 p90 52.88 -177.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.749 2.42 . . . . 0.0 116.107 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.52 53.19 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.343 1.457 . . . . 0.0 112.374 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -77.92 142.27 38.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.358 1.063 . . . . 0.0 111.539 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -154.1 154.22 33.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.888 1.275 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -57.28 -22.89 44.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.5 -15.78 41.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.912 1.285 . . . . 0.0 113.799 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.46 -17.25 64.15 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.616 1.167 . . . . 0.0 113.693 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 58.89 -179.8 0.08 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.685 1.994 . . . . 0.0 114.329 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -120.59 149.18 42.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.966 1.706 . . . . 0.0 111.109 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.1 163.47 34.96 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 125.997 1.719 . . . . 0.0 111.495 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.95 114.02 1.67 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.294 3.329 . . . . 0.0 112.838 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -141.15 168.94 18.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.863 1.665 . . . . 0.0 114.419 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 112.0 13.71 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.366 2.666 . . . . 0.0 109.037 176.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mm -88.81 107.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.92 164.53 12.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.88 0.872 . . . . 0.0 111.291 170.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -116.27 152.95 32.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.986 1.314 . . . . 0.0 110.553 168.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -141.39 141.56 33.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.171 0.988 . . . . 0.0 111.646 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -108.06 122.99 48.01 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.11 1.764 . . . . 0.0 111.041 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -76.72 177.77 7.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.039 1.335 . . . . 0.0 111.668 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.45 -16.96 61.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.77 4.7 46.59 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.082 0.855 . . . . 0.0 112.515 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.27 2.16 90.54 Favored Glycine 0 N--CA 1.47 0.928 0 C-N-CA 124.777 1.18 . . . . 0.0 114.598 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.69 120.11 16.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.196 0.998 . . . . 0.0 108.868 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.39 134.16 46.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.384 0.611 . . . . 0.0 111.373 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.03 163.75 24.72 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.343 1.457 . . . . 0.0 111.585 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 135.86 50.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.39 110.03 28.66 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 124.928 1.291 . . . . 0.0 110.408 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -70.92 130.04 17.29 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.231 3.287 . . . . 0.0 111.587 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -115.93 141.97 47.4 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.239 1.815 . . . . 0.0 111.0 171.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.9 162.55 20.47 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.264 -0.897 . . . . 0.0 111.758 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -59.51 -20.63 56.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.254 1.022 . . . . 0.0 113.587 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.01 -11.22 60.67 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.868 1.267 . . . . 0.0 113.478 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.79 171.55 12.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.663 1.985 . . . . 0.0 113.177 -174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.09 171.13 13.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.697 1.999 . . . . 0.0 111.382 171.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -88.7 110.02 34.12 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 127.424 2.29 . . . . 0.0 109.928 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.26 151.53 60.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.575 2.85 . . . . 0.0 110.673 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -29.91 15.51 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.58 1.562 . . . . 0.0 115.149 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.7 p -139.98 159.43 42.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.319 1.059 . . . . 0.0 112.47 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -157.68 148.03 20.74 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.635 1.574 . . . . 0.0 111.837 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.6 125.76 27.69 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.919 -1.113 . . . . 0.0 111.832 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.1 m -89.72 160.8 16.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.43 1.092 . . . . 0.0 112.215 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -66.41 -15.68 63.5 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.0 -17.12 64.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.87 1.268 . . . . 0.0 112.824 170.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.45 11.64 60.64 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.491 1.519 . . . . 0.0 113.646 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -114.47 147.31 39.52 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.541 1.136 . . . . 0.0 111.836 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.45 110.03 2.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.058 0.943 . . . . 0.0 111.16 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.52 148.94 20.83 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.639 1.114 . . . . 0.0 112.604 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.0 m -107.5 138.82 43.02 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.709 -0.877 . . . . 0.0 111.659 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 121.74 12.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.596 1.559 . . . . 0.0 111.399 -173.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.98 154.06 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.97 1.708 . . . . 0.0 111.279 172.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.94 136.74 33.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.659 -0.651 . . . . 0.0 111.768 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.32 5.58 82.74 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.689 1.138 . . . . 0.0 114.91 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.62 169.15 21.0 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.516 2.326 . . . . 0.0 110.223 -174.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.94 161.54 61.46 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.431 1.892 . . . . 0.0 114.72 -167.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.38 -47.17 6.27 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.881 2.387 . . . . 0.0 114.605 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.92 59.77 31.0 Favored Pre-proline 0 CA--C 1.556 1.206 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -63.5 -174.89 0.23 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.82 3.013 . . . . 0.0 112.885 146.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -72.63 98.63 2.38 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.141 -0.975 . . . . 0.0 109.609 162.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -148.02 138.2 22.74 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.913 1.685 . . . . 0.0 111.44 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.06 157.79 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.809 1.644 . . . . 0.0 111.857 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -69.5 -59.68 4.61 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.987 1.315 . . . . 0.0 113.596 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.47 154.21 60.86 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 122.834 2.356 . . . . 0.0 113.895 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.66 -28.51 6.5 Favored 'Cis proline' 0 CA--C 1.541 0.87 0 CA-C-N 119.05 0.697 . . . . 0.0 113.759 -1.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.425 1.89 . . . . 0.0 112.132 -174.727 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 77.8 mtm -98.4 -32.87 11.28 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.998 2.519 . . . . 0.0 113.121 -3.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.92 -43.62 44.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.584 0.753 . . . . 0.0 112.088 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -84.2 132.5 34.66 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.129 0.972 . . . . 0.0 110.548 170.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -108.22 154.1 22.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.54 1.536 . . . . 0.0 111.519 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -148.02 149.66 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.634 1.574 . . . . 0.0 110.932 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.43 40.48 0.72 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.187 1.395 . . . . 0.0 112.652 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 -138.16 160.05 40.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.787 2.035 . . . . 0.0 111.477 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.51 165.48 47.14 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.32 0.962 . . . . 0.0 113.998 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -146.91 157.5 43.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.283 1.433 . . . . 0.0 112.035 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -94.44 3.08 55.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.609 1.564 . . . . 0.0 113.564 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.36 107.9 10.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.174 0.99 . . . . 0.0 109.934 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.31 -52.04 2.18 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.597 1.57 . . . . 0.0 114.321 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.88 162.93 27.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.264 1.426 . . . . 0.0 112.466 173.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -132.16 155.82 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.707 1.603 . . . . 0.0 112.302 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 t -149.93 141.1 23.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.065 1.346 . . . . 0.0 111.322 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -152.65 160.65 43.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.353 1.461 . . . . 0.0 111.983 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.41 103.07 6.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.757 0.823 . . . . 0.0 110.849 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -77.41 134.83 38.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 0.0 110.406 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -81.36 39.85 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.093 1.357 . . . . 0.0 113.671 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -67.81 121.28 15.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.65 1.18 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.29 -1.26 2.91 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -97.2 19.63 12.73 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.41 1.884 . . . . 0.0 113.058 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.12 159.11 24.11 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.224 1.809 . . . . 0.0 113.969 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.263 2.2 pt? -79.71 69.95 6.12 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.919 1.687 . . . . 0.0 114.721 -171.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.34 71.13 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 126.078 1.751 . . . . 0.0 110.991 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -78.14 69.81 7.38 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 122.688 2.259 . . . . 0.0 114.546 -166.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -141.06 165.81 26.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.094 1.757 . . . . 0.0 113.292 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.64 109.61 9.31 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.232 2.213 . . . . 0.0 109.144 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.13 106.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 157.73 15.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.819 0.847 . . . . 0.0 110.634 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -112.72 149.73 32.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.631 1.172 . . . . 0.0 110.528 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.81 142.47 34.63 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.49 1.116 . . . . 0.0 111.559 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -109.86 125.83 53.19 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.317 1.847 . . . . 0.0 111.13 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -79.41 178.54 8.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.048 1.339 . . . . 0.0 111.841 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.59 -16.58 61.73 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.75 2.71 54.51 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.15 0.886 . . . . 0.0 112.8 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 7.49 88.32 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.064 1.316 . . . . 0.0 114.694 -168.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.02 119.98 18.98 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.601 1.2 . . . . 0.0 108.572 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -102.46 131.01 49.41 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.662 0.785 . . . . 0.0 111.587 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -130.03 163.78 25.75 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.443 1.497 . . . . 0.0 112.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -109.9 136.84 48.55 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.731 1.213 . . . . 0.0 111.917 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -125.51 110.02 25.98 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.403 1.481 . . . . 0.0 110.047 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.71 130.05 16.44 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.238 3.292 . . . . 0.0 111.97 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -116.9 144.04 44.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.437 1.895 . . . . 0.0 111.355 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.15 159.43 20.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.222 -0.923 . . . . 0.0 111.381 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.08 -19.95 62.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.26 -12.94 61.38 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.921 1.288 . . . . 0.0 113.433 171.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.5 172.88 7.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.13 2.172 . . . . 0.0 112.699 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -131.1 165.84 22.37 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.995 1.718 . . . . 0.0 110.766 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -87.2 110.03 30.17 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 127.374 2.27 . . . . 0.0 109.516 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.38 151.69 60.03 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.488 2.792 . . . . 0.0 110.512 168.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.8 15.56 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.392 1.472 . . . . 0.0 115.073 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.9 p -140.05 159.4 42.27 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.154 0.977 . . . . 0.0 112.579 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -157.75 148.09 20.68 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.615 1.566 . . . . 0.0 111.748 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 126.3 28.9 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.894 -1.129 . . . . 0.0 111.716 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 63.1 m -91.19 165.48 13.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.501 1.12 . . . . 0.0 112.658 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -68.03 -16.53 64.08 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.329 1.052 . . . . 0.0 113.818 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.77 -17.13 63.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.084 1.354 . . . . 0.0 113.254 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.27 60.92 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.116 1.341 . . . . 0.0 113.796 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.7 148.57 34.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.089 1.355 . . . . 0.0 111.233 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 110.05 3.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.808 0.843 . . . . 0.0 110.356 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.76 148.72 21.92 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.526 1.06 . . . . 0.0 112.775 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.4 m -106.88 138.49 42.95 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.861 0.864 . . . . 0.0 111.58 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 121.33 11.58 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.57 1.548 . . . . 0.0 111.055 -175.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.96 153.58 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.76 1.624 . . . . 0.0 112.092 176.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -71.89 138.14 47.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.45 0.7 . . . . 0.0 111.829 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 49.09 0.09 OUTLIER Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.547 0.594 . . . . 0.0 113.493 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -142.6 125.5 16.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.299 1.44 . . . . 0.0 110.492 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.16 146.12 34.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.777 1.631 . . . . 0.0 111.144 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -80.05 64.61 8.89 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.428 3.419 . . . . 0.0 111.759 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 37.03 69.19 1.37 Allowed Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.848 2.459 . . . . 0.0 114.828 -176.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -48.97 140.0 24.7 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 124.407 3.404 . . . . 0.0 114.967 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -147.05 163.05 37.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.025 1.73 . . . . 0.0 110.529 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 49.27 39.95 17.06 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.593 1.557 . . . . 0.0 113.087 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.294 31.2 m 46.66 35.1 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 127.493 2.317 . . . . 0.0 115.137 -173.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -127.3 104.19 22.35 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.363 1.465 . . . . 0.0 111.536 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.8 163.42 47.73 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 CA-C-N 119.319 0.793 . . . . 0.0 112.791 -15.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -66.8 -28.24 43.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.893 2.395 . . . . 0.0 115.076 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.314 1.846 . . . . 0.0 111.48 -177.494 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.1 mtm -74.73 159.97 31.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.924 0.89 . . . . 0.0 112.642 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.19 164.93 25.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.215 1.806 . . . . 0.0 111.16 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 58.72 -169.88 0.13 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.609 1.164 . . . . 0.0 112.354 -168.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -61.76 139.16 58.36 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.448 -1.407 . . . . 0.0 110.706 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 m -96.36 122.51 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -168.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.6 mt 56.78 19.95 4.8 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.683 2.393 . . . . 0.0 116.006 170.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -139.59 155.95 47.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.122 1.369 . . . . 0.0 113.473 -168.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.19 10.99 0.09 OUTLIER Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.098 1.333 . . . . 0.0 115.115 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p -80.84 160.45 24.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.061 1.345 . . . . 0.0 113.153 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 51.61 46.38 26.61 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -160.68 126.96 4.05 Favored 'General case' 0 CA--C 1.542 0.638 1 C-N-CA 132.504 4.322 . . . . 0.0 109.807 -8.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.63 -56.28 2.09 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.18 1.848 . . . . 0.0 115.96 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.29 14.42 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.494 1.518 . . . . 0.0 114.569 -170.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.7 t 65.88 141.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 128.903 2.881 . . . . 0.0 115.428 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 p -126.67 134.04 50.81 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.288 1.835 . . . . 0.0 111.178 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -158.29 174.26 15.42 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.35 1.46 . . . . 0.0 111.172 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.51 5.11 0.85 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m 54.2 60.86 3.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.705 1.602 . . . . 0.0 112.908 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.29 148.66 31.29 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -87.54 -2.95 58.96 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -169.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.86 161.06 21.91 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.909 1.231 . . . . 0.0 111.716 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -75.53 22.01 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.106 2.262 . . . . 0.0 117.106 -156.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -148.59 161.26 42.05 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.798 1.239 . . . . 0.0 112.277 169.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.5 mt -102.64 111.31 23.57 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.104 1.362 . . . . 0.0 110.127 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.72 128.8 3.4 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 126.492 1.917 . . . . 0.0 108.661 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -56.85 104.27 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.123 3.216 . . . . 0.0 114.228 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -141.16 164.33 30.55 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.67 101.96 4.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.478 2.711 . . . . 0.0 110.072 -176.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.73 110.0 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 120.824 -1.173 . . . . 0.0 108.451 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 163.39 12.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.687 1.195 . . . . 0.0 111.326 166.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -113.97 149.54 35.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.165 1.386 . . . . 0.0 110.624 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.14 142.92 38.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.078 0.951 . . . . 0.0 111.287 175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -109.04 124.88 51.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.72 2.008 . . . . 0.0 111.074 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -80.4 178.95 7.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.201 1.4 . . . . 0.0 111.54 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.69 -16.56 61.68 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.09 2.88 54.76 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.165 0.893 . . . . 0.0 112.781 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.59 7.82 88.16 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.154 1.359 . . . . 0.0 114.772 -168.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.57 120.11 18.72 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.472 1.136 . . . . 0.0 108.498 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.56 132.43 48.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.323 0.649 . . . . 0.0 112.013 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.35 163.16 26.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.443 1.497 . . . . 0.0 112.054 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 136.05 49.84 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.793 1.237 . . . . 0.0 111.509 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.13 109.98 27.05 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.217 1.407 . . . . 0.0 110.891 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -73.76 123.0 8.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.913 3.075 . . . . 0.0 111.996 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -105.33 142.84 34.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.413 1.885 . . . . 0.0 111.144 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.18 159.65 20.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.313 -0.867 . . . . 0.0 110.962 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.87 -19.88 60.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.262 1.025 . . . . 0.0 113.59 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.98 -12.3 61.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.76 1.224 . . . . 0.0 113.214 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.68 167.38 11.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.106 2.162 . . . . 0.0 112.088 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -135.89 148.0 48.4 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.815 1.246 . . . . 0.0 111.469 170.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -62.74 110.13 3.11 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 128.015 2.526 . . . . 0.0 111.631 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.87 150.46 55.45 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.352 2.701 . . . . 0.0 110.86 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.81 15.49 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.594 1.568 . . . . 0.0 115.173 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.97 159.38 42.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.122 0.961 . . . . 0.0 112.937 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.11 148.06 21.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.056 1.342 . . . . 0.0 112.343 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 125.16 25.8 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.946 -1.096 . . . . 0.0 111.687 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.8 m -91.46 165.75 13.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.599 1.159 . . . . 0.0 112.867 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -68.55 -16.37 63.85 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.64 -17.09 64.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.057 1.343 . . . . 0.0 113.173 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 13.35 60.71 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.172 1.368 . . . . 0.0 113.82 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.5 148.67 33.97 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.041 1.336 . . . . 0.0 111.258 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.24 110.01 2.87 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.857 0.863 . . . . 0.0 110.205 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.35 148.48 21.34 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.385 0.993 . . . . 0.0 112.501 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 m -106.3 140.25 39.53 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.787 -0.831 . . . . 0.0 111.559 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.01 123.05 15.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.11 1.364 . . . . 0.0 112.049 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.96 153.22 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.405 1.482 . . . . 0.0 111.862 177.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.83 129.25 35.98 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.744 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.4 -24.36 51.25 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.919 1.128 . . . . 0.0 115.919 -169.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.1 19.89 2.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.455 1.128 . . . . 0.0 113.7 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.23 151.35 58.78 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.779 1.632 . . . . 0.0 110.271 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -77.15 36.81 0.55 Allowed 'Trans proline' 0 CA--C 1.551 1.329 0 C-N-CA 124.617 3.545 . . . . 0.0 112.645 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 35.95 59.85 3.04 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 128.702 2.801 . . . . 0.0 114.881 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -77.26 151.28 29.77 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.547 2.832 . . . . 0.0 111.513 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.286 64.8 pttt 49.33 -169.58 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.383 1.473 . . . . 0.0 114.432 172.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -67.18 79.93 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.443 -1.41 . . . . 0.0 111.776 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.292 22.4 m 51.35 30.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 129.124 2.97 . . . . 0.0 117.061 169.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -138.6 152.62 71.27 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 112.135 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.49 147.03 81.08 Favored 'Cis proline' 0 CA--C 1.546 1.11 0 CA-C-N 120.043 1.051 . . . . 0.0 113.856 5.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -64.92 153.18 79.4 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 122.845 2.363 . . . . 0.0 112.555 174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 129.628 3.171 . . . . 0.0 110.673 -2.462 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -137.04 148.56 46.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 111.095 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.73 -34.51 34.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.718 0.807 . . . . 0.0 112.165 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -81.9 176.43 9.57 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.692 1.597 . . . . 0.0 110.927 165.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -33.5 116.98 0.28 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.26 2.624 . . . . 0.0 113.306 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -79.99 156.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 125.186 1.394 . . . . 0.0 111.836 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt 57.63 15.14 2.7 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.857 2.063 . . . . 0.0 114.808 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -97.51 123.74 41.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.093 1.757 . . . . 0.0 109.877 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.14 3.84 3.76 Favored Glycine 0 CA--C 1.537 1.439 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 -173.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.41 -45.04 96.02 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -120.52 -37.77 2.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 129.437 3.095 . . . . 0.0 114.095 -5.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -114.41 3.19 14.91 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.66 1.184 . . . . 0.0 113.765 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.3 -57.53 2.83 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.824 1.678 . . . . 0.0 113.988 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.27 41.79 0.63 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.178 1.791 . . . . 0.0 113.246 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.88 136.71 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.479 1.512 . . . . 0.0 110.702 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -104.19 60.52 0.72 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.928 1.291 . . . . 0.0 112.261 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -110.0 -5.5 15.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.814 1.646 . . . . 0.0 114.139 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 52.42 33.52 13.25 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.078 1.751 . . . . 0.0 114.035 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m 57.96 32.12 21.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.333 1.453 . . . . 0.0 113.362 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -142.07 168.65 19.25 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.751 1.62 . . . . 0.0 112.146 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -123.63 136.76 54.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.488 1.515 . . . . 0.0 112.425 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.24 124.19 22.78 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.877 1.671 . . . . 0.0 108.215 164.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -99.8 -8.04 24.68 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.2 153.04 36.43 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.133 -0.979 . . . . 0.0 113.072 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -131.73 149.41 52.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.181 1.792 . . . . 0.0 110.674 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.75 152.61 0.11 Allowed Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 127.356 2.263 . . . . 0.0 114.17 -171.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.62 108.73 1.69 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.062 2.508 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -140.97 152.84 45.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.089 1.755 . . . . 0.0 112.156 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.58 101.99 7.16 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.4 1.88 . . . . 0.0 109.936 -168.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -88.5 103.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.99 26.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.321 1.049 . . . . 0.0 110.89 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -94.2 151.56 19.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.482 0.713 . . . . 0.0 111.539 174.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -140.52 141.25 35.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.573 1.149 . . . . 0.0 111.589 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -108.29 124.89 51.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.502 1.921 . . . . 0.0 110.99 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -77.67 177.7 7.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.215 1.406 . . . . 0.0 111.333 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.84 -10.49 59.81 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.438 -0.789 . . . . 0.0 112.674 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -99.43 12.12 37.24 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.46 1.904 . . . . 0.0 111.527 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.78 1.21 89.26 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 126.413 1.959 . . . . 0.0 115.096 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.83 120.26 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.483 0.641 . . . . 0.0 109.954 -167.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -102.5 128.4 49.15 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.413 0.625 . . . . 0.0 111.772 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.33 160.78 29.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.641 1.576 . . . . 0.0 111.487 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -110.28 132.58 54.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.478 1.511 . . . . 0.0 111.221 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.78 110.09 29.88 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 125.503 1.521 . . . . 0.0 110.689 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.43 130.04 16.74 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.049 3.166 . . . . 0.0 113.019 170.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -117.77 142.26 47.48 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.185 2.194 . . . . 0.0 111.455 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.16 163.12 18.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.958 0.903 . . . . 0.0 111.356 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.55 -19.94 58.86 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.199 -0.938 . . . . 0.0 113.387 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.95 -10.6 60.01 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.72 1.208 . . . . 0.0 113.093 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.4 160.49 28.06 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.649 1.98 . . . . 0.0 112.493 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.92 139.48 50.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 110.797 172.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.11 110.07 1.89 Allowed Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 127.777 2.431 . . . . 0.0 111.385 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.71 149.81 55.33 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.149 2.566 . . . . 0.0 110.519 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.87 15.14 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.514 1.53 . . . . 0.0 115.19 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -140.04 159.69 41.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.111 0.955 . . . . 0.0 112.339 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -157.21 148.07 21.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.532 1.533 . . . . 0.0 112.008 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 125.91 28.14 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.866 -1.146 . . . . 0.0 111.972 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -92.67 163.97 13.57 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.67 1.188 . . . . 0.0 112.77 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -68.35 -14.98 63.38 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.73 -17.14 64.0 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.506 0.67 . . . . 0.0 112.649 169.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.95 58.31 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.59 1.566 . . . . 0.0 113.912 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.7 tpp -109.91 148.34 31.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.102 1.761 . . . . 0.0 111.179 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.4 110.04 3.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.574 0.75 . . . . 0.0 110.06 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.44 22.69 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.638 1.113 . . . . 0.0 112.559 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.6 m -106.67 139.27 41.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.758 0.823 . . . . 0.0 111.426 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.17 121.83 12.91 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.348 1.459 . . . . 0.0 110.964 -174.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.59 155.06 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.963 1.705 . . . . 0.0 111.671 174.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -104.89 137.67 42.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.434 1.094 . . . . 0.0 111.898 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.61 -31.55 0.13 Allowed Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.382 0.992 . . . . 0.0 114.137 172.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -148.27 148.7 30.76 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 127.361 2.264 . . . . 0.0 107.769 172.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.0 166.34 22.46 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 130.552 3.541 . . . . 0.0 112.411 10.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.12 -32.03 17.85 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.743 2.295 . . . . 0.0 113.031 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -136.3 59.92 29.68 Favored Pre-proline 0 CA--C 1.555 1.149 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.54 130.73 10.99 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.837 2.358 . . . . 0.0 109.597 162.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 tttt 55.26 -169.98 0.07 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.672 1.589 . . . . 0.0 113.067 -164.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -77.41 64.7 2.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.758 1.623 . . . . 0.0 112.198 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.4 165.64 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.262 1.825 . . . . 0.0 111.959 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -140.47 143.32 32.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 125.796 1.638 . . . . 0.0 110.406 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -55.86 160.35 10.11 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 124.007 3.138 . . . . 0.0 115.104 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -63.34 153.29 75.34 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.174 2.583 . . . . 0.0 112.523 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.052 1.741 . . . . 0.0 111.924 -173.5 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.5 154.77 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.978 0.911 . . . . 0.0 112.129 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.61 -20.96 58.19 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t70 60.92 -26.57 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.892 2.877 . . . . 0.0 116.693 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -130.05 169.65 15.02 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.871 2.468 . . . . 0.0 110.737 176.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.0 77.75 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.122 0.969 . . . . 0.0 109.718 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.79 4.48 47.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.398 1.479 . . . . 0.0 113.884 -176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -77.51 67.04 3.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.608 1.563 . . . . 0.0 112.3 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.22 176.37 26.87 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.842 1.211 . . . . 0.0 113.556 172.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -56.46 -26.08 52.79 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -164.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -82.92 37.93 0.56 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.395 1.478 . . . . 0.0 112.484 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.356 3.0 pp 49.91 30.49 3.99 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.752 2.021 . . . . 0.0 115.047 -171.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.59 70.56 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.702 1.62 . . . . 0.0 116.022 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 35.26 0.48 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 119.439 1.619 . . . . 0.0 113.097 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -81.53 138.65 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.968 1.307 . . . . 0.0 113.062 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -163.25 132.28 4.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.828 2.051 . . . . 0.0 109.785 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -156.21 164.88 37.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.2 105.43 2.94 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.812 0.845 . . . . 0.0 111.07 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -152.71 161.34 42.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.485 1.514 . . . . 0.0 111.473 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.07 126.52 30.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.039 0.936 . . . . 0.0 112.065 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -151.48 -52.5 0.13 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.151 1.38 . . . . 0.0 111.828 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -109.94 155.88 21.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.677 1.591 . . . . 0.0 110.785 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -119.62 1.74 11.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.877 1.271 . . . . 0.0 114.308 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.25 175.65 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.278 1.031 . . . . 0.0 112.924 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.94 130.03 42.44 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.926 1.291 . . . . 0.0 110.223 170.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.94 170.01 8.29 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.621 1.568 . . . . 0.0 111.669 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -68.04 71.25 0.83 Allowed 'Trans proline' 0 CA--C 1.548 1.22 0 C-N-CA 124.623 3.548 . . . . 0.0 114.717 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -140.97 165.78 26.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.975 1.71 . . . . 0.0 114.735 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.75 104.73 6.76 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 128.23 2.612 . . . . 0.0 109.409 -172.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.41 107.41 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 124.211 1.004 . . . . 0.0 108.675 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 161.99 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.675 1.19 . . . . 0.0 110.497 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -114.02 153.97 28.46 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.567 1.147 . . . . 0.0 110.027 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -140.94 138.46 33.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.038 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -104.15 124.23 48.71 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.603 1.961 . . . . 0.0 110.982 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -80.06 178.81 7.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.939 1.296 . . . . 0.0 111.735 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.09 -16.58 61.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.77 2.4 54.93 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.165 0.893 . . . . 0.0 112.694 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.49 8.92 87.06 Favored Glycine 0 C--N 1.341 0.82 0 C-N-CA 125.176 1.37 . . . . 0.0 114.807 -168.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 119.59 18.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.235 . . . . 0.0 108.491 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -102.54 128.48 49.16 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.823 0.849 . . . . 0.0 111.823 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.73 163.29 23.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.273 1.429 . . . . 0.0 111.61 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.97 136.53 49.1 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.276 1.03 . . . . 0.0 110.582 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.4 109.92 30.76 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.797 1.239 . . . . 0.0 109.716 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.15 126.02 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.36 2.707 . . . . 0.0 111.547 172.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -110.18 141.53 42.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.37 1.868 . . . . 0.0 111.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.03 158.78 26.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.662 0.785 . . . . 0.0 111.181 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.39 -19.93 50.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.985 1.314 . . . . 0.0 113.746 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.99 -13.13 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.819 1.248 . . . . 0.0 113.412 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.69 160.22 26.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.684 1.994 . . . . 0.0 112.62 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -131.25 142.41 50.14 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.06 1.344 . . . . 0.0 111.315 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.3 110.01 2.25 Favored Pre-proline 0 N--CA 1.471 0.597 0 C-N-CA 128.026 2.53 . . . . 0.0 111.701 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -72.07 149.8 53.12 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.284 2.656 . . . . 0.0 110.725 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.94 -29.92 14.91 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.718 1.628 . . . . 0.0 115.378 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 p -139.99 159.61 41.79 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.103 0.951 . . . . 0.0 112.351 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -157.68 148.11 20.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.581 1.552 . . . . 0.0 111.907 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 125.19 25.78 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.883 -1.136 . . . . 0.0 111.863 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.17 165.7 14.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.621 1.168 . . . . 0.0 112.606 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -67.98 -17.05 64.31 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -68.63 -17.13 64.05 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.18 1.392 . . . . 0.0 113.31 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.0 14.69 58.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.148 1.356 . . . . 0.0 113.812 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.29 148.57 37.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.043 1.337 . . . . 0.0 111.284 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.94 110.04 3.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.84 0.856 . . . . 0.0 110.468 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.3 150.65 22.12 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.775 1.178 . . . . 0.0 112.974 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -109.61 138.36 46.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.922 0.889 . . . . 0.0 112.073 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.0 121.75 12.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.035 1.734 . . . . 0.0 112.24 -170.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.22 156.15 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 127.052 2.141 . . . . 0.0 109.592 166.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.94 123.48 20.32 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.923 -1.11 . . . . 0.0 113.161 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.35 28.19 41.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 129.832 3.586 . . . . 0.0 115.057 -8.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.42 135.04 24.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.787 1.635 . . . . 0.0 109.989 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.3 mt -129.17 108.43 17.91 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.933 1.693 . . . . 0.0 110.615 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -68.67 -37.12 12.89 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.978 2.452 . . . . 0.0 113.166 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -136.99 74.37 50.46 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.733 1.613 . . . . 0.0 113.002 -176.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -54.89 130.12 38.94 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.286 1.991 . . . . 0.0 110.11 157.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -155.11 126.71 7.41 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.656 0.782 . . . . 0.0 112.683 -167.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -142.81 154.65 44.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.597 1.959 . . . . 0.0 110.724 173.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.43 156.82 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.082 1.353 . . . . 0.0 113.45 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -137.84 151.33 70.2 Favored Pre-proline 0 N--CA 1.48 1.041 0 C-N-CA 126.242 1.817 . . . . 0.0 111.094 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.11 153.17 67.6 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.17 2.58 . . . . 0.0 112.671 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -70.02 151.09 67.45 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.621 2.881 . . . . 0.0 112.341 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.369 1.868 . . . . 0.0 111.659 -179.55 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 119.573 -0.251 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.4 ttt -78.21 133.65 37.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.805 1.242 . . . . 0.0 111.605 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.03 141.64 33.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.103 0.961 . . . . 0.0 111.068 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 t0 50.89 44.34 28.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.97 1.308 . . . . 0.0 113.206 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 138.91 56.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.444 1.498 . . . . 0.0 113.57 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.0 143.14 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.281 1.832 . . . . 0.0 110.654 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.9 mt -120.99 142.28 49.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 111.075 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 48.49 39.92 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.312 1.845 . . . . 0.0 113.526 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.89 -161.27 36.68 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.4 1.476 . . . . 0.0 113.521 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.7 p -75.32 43.05 0.22 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.161 1.784 . . . . 0.0 113.967 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -145.14 14.14 1.46 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.203 2.201 . . . . 0.0 113.353 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 tp -74.63 -36.85 62.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.368 1.467 . . . . 0.0 112.944 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.61 -173.34 46.19 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.072 1.32 . . . . 0.0 112.223 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 35.6 0.26 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.161 0.984 . . . . 0.0 113.403 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.29 -31.36 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.857 -1.152 . . . . 0.0 114.075 -166.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -154.09 2.92 0.25 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.856 1.262 . . . . 0.0 113.019 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -158.09 171.09 20.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.293 2.237 . . . . 0.0 109.925 -170.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.28 25.24 0.1 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m 58.04 20.53 6.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.873 1.669 . . . . 0.0 113.866 -170.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 51.68 85.19 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.315 2.246 . . . . 0.0 113.9 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -94.96 154.23 17.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -140.08 -24.63 0.81 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 114.509 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -164.31 -55.46 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -107.11 149.45 27.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.155 2.982 . . . . 0.0 113.679 -0.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.4 69.81 5.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.546 1.165 . . . . 0.0 109.501 166.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.46 150.53 11.95 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 127.197 2.199 . . . . 0.0 110.274 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.96 69.76 7.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.583 2.188 . . . . 0.0 111.114 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -141.28 170.16 16.26 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.701 1.6 . . . . 0.0 114.148 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.18 120.06 15.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.936 2.494 . . . . 0.0 108.673 168.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.4 mm -96.11 103.72 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.74 166.94 11.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.417 0.687 . . . . 0.0 110.228 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -123.72 152.67 41.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.032 0.933 . . . . 0.0 111.391 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -141.52 138.71 32.94 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.667 1.187 . . . . 0.0 112.631 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -104.14 124.09 48.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.8 2.04 . . . . 0.0 111.499 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -79.24 178.36 8.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.06 1.344 . . . . 0.0 111.781 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.78 -16.74 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.11 2.95 54.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.218 0.917 . . . . 0.0 112.708 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.01 87.05 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.17 1.367 . . . . 0.0 114.813 -169.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.04 119.64 19.48 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.541 1.171 . . . . 0.0 108.434 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -102.56 130.73 49.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.459 0.704 . . . . 0.0 112.203 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.66 163.2 24.77 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.96 1.704 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -109.9 137.69 47.34 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -127.03 110.04 21.78 Favored Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 125.61 1.564 . . . . 0.0 110.366 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -68.81 130.07 19.82 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.225 3.283 . . . . 0.0 113.09 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -120.0 148.35 43.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.055 2.142 . . . . 0.0 111.206 171.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.15 156.8 18.57 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.835 -1.166 . . . . 0.0 110.885 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 -19.99 63.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.099 -1.001 . . . . 0.0 113.603 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.89 -16.83 61.1 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.82 1.248 . . . . 0.0 113.213 172.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.56 177.46 4.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.784 2.034 . . . . 0.0 112.178 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -133.07 165.28 25.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.814 1.646 . . . . 0.0 111.369 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -91.17 107.37 20.79 Favored Pre-proline 0 N--CA 1.47 0.536 0 C-N-CA 126.69 1.996 . . . . 0.0 108.794 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.54 151.1 70.26 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.117 2.544 . . . . 0.0 110.167 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.65 -29.89 13.03 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.563 1.554 . . . . 0.0 115.031 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.4 p -139.97 159.37 42.32 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.261 1.031 . . . . 0.0 112.429 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -157.03 148.11 21.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.87 1.668 . . . . 0.0 111.578 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 126.69 30.32 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.987 -1.071 . . . . 0.0 111.767 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.3 m -90.93 165.16 13.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.648 1.179 . . . . 0.0 112.846 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -69.45 -13.53 62.4 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.4 -17.14 63.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.018 1.327 . . . . 0.0 113.095 168.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 13.05 61.23 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.005 1.288 . . . . 0.0 113.782 -174.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.6 148.83 33.77 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 111.372 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.14 110.12 3.32 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.834 0.854 . . . . 0.0 110.446 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.91 149.82 21.83 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.877 1.227 . . . . 0.0 113.038 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.6 m -108.86 137.83 46.16 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.914 0.885 . . . . 0.0 112.081 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.07 122.48 14.48 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.272 1.829 . . . . 0.0 111.899 -170.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.61 155.92 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.457 1.903 . . . . 0.0 110.132 166.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -63.02 117.27 6.21 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.231 -0.918 . . . . 0.0 112.958 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.26 -11.1 1.05 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.948 1.261 . . . . 0.0 115.858 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.19 33.66 0.55 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.727 1.763 . . . . 0.0 114.109 -173.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.59 160.21 70.22 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 126.973 2.109 . . . . 0.0 111.537 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -72.09 -31.68 4.89 Favored 'Cis proline' 0 C--N 1.357 1.015 0 N-CA-C 117.169 1.95 . . . . 0.0 117.169 10.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -131.21 80.09 69.14 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.553 1.141 . . . . 0.0 112.577 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -72.79 59.82 3.51 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.747 3.631 . . . . 0.0 112.388 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -85.2 50.67 1.99 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.15 2.18 . . . . 0.0 112.166 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -126.62 40.08 3.8 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.467 1.907 . . . . 0.0 112.551 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.87 135.08 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.927 1.691 . . . . 0.0 109.879 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -148.99 152.06 35.84 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.626 1.57 . . . . 0.0 112.29 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.73 164.06 35.7 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 123.247 2.631 . . . . 0.0 111.816 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.81 135.25 54.81 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 123.177 2.585 . . . . 0.0 112.356 172.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 129.197 2.999 . . . . 0.0 111.574 -9.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.5 mtt 60.19 -26.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 129.173 2.989 . . . . 0.0 117.802 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.99 29.34 9.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.37 1.868 . . . . 0.0 115.047 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.79 153.78 40.94 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.703 1.201 . . . . 0.0 113.103 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -135.2 150.49 50.12 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.813 1.645 . . . . 0.0 111.499 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.22 163.72 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.283 1.833 . . . . 0.0 111.93 -174.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -68.65 149.53 49.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.008 1.323 . . . . 0.0 112.432 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -86.37 149.94 24.67 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.292 1.037 . . . . 0.0 112.179 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.57 159.46 35.46 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.219 1.39 . . . . 0.0 114.808 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m -63.03 -19.11 64.07 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.471 1.508 . . . . 0.0 115.023 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -5.89 2.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.801 1.64 . . . . 0.0 114.913 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.81 -36.04 69.46 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.085 1.354 . . . . 0.0 111.808 164.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.2 52.1 11.92 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.016 0.817 . . . . 0.0 113.013 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.85 118.78 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.328 1.051 . . . . 0.0 112.326 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.302 13.9 m 46.55 21.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 128.302 2.641 . . . . 0.0 116.61 -173.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -152.68 82.68 1.23 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.72 1.608 . . . . 0.0 109.847 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -144.9 159.83 42.28 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.264 1.426 . . . . 0.0 112.645 -172.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.67 110.06 3.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 122.057 0.932 . . . . 0.0 111.348 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -84.42 -9.95 57.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.075 1.35 . . . . 0.0 114.519 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -92.3 153.09 19.45 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.428 1.491 . . . . 0.0 112.712 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -135.13 158.31 44.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.994 1.317 . . . . 0.0 112.304 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -115.48 27.03 9.61 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.368 1.867 . . . . 0.0 113.645 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.96 -31.47 72.67 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 112.55 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -106.72 152.59 23.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.254 1.421 . . . . 0.0 110.527 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.04 141.46 51.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.223 1.409 . . . . 0.0 111.259 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.11 170.0 8.65 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.668 1.587 . . . . 0.0 112.114 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -59.97 69.95 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.065 1 C-N-CA 126.315 4.677 . . . . 0.0 114.093 166.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.1 ptt-85 -97.72 156.12 16.7 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.244 1.817 . . . . 0.0 113.299 -167.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.95 102.75 6.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.255 1.822 . . . . 0.0 108.825 -169.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mm -86.23 106.82 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.89 160.86 14.12 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.574 -0.704 . . . . 0.0 111.4 172.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -113.44 148.59 35.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.154 1.382 . . . . 0.0 110.26 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -139.5 142.72 37.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.01 0.924 . . . . 0.0 111.346 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -108.75 124.73 51.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.639 1.576 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 p -78.85 178.03 8.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.126 1.37 . . . . 0.0 111.681 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.68 -16.6 61.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.79 2.29 53.78 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.225 0.92 . . . . 0.0 112.66 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.42 4.31 89.44 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 125.308 1.432 . . . . 0.0 114.853 -169.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.58 120.15 17.79 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.236 . . . . 0.0 109.074 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -102.49 133.73 46.98 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.202 0.601 . . . . 0.0 111.681 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -128.69 163.02 26.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.147 1.379 . . . . 0.0 111.935 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.02 134.66 51.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.132 1.373 . . . . 0.0 110.59 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 t -125.65 110.02 25.61 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.604 1.562 . . . . 0.0 110.69 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -69.0 130.06 19.57 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.003 3.135 . . . . 0.0 112.371 169.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.14 140.07 47.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.085 1.754 . . . . 0.0 111.275 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.73 164.58 19.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.843 0.857 . . . . 0.0 112.137 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.19 -26.25 27.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.523 1.529 . . . . 0.0 113.839 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.76 -13.85 61.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.355 1.862 . . . . 0.0 114.019 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.69 161.35 31.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.778 1.631 . . . . 0.0 113.73 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -132.01 152.32 51.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.97 1.308 . . . . 0.0 112.602 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.0 110.19 4.28 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 129.369 3.068 . . . . 0.0 112.338 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.68 152.29 69.72 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.416 2.744 . . . . 0.0 111.4 166.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.14 -29.82 15.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.191 1.377 . . . . 0.0 115.328 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.8 p -141.55 160.2 40.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.466 1.106 . . . . 0.0 113.043 173.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -157.28 148.04 21.41 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 112.595 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 123.92 22.4 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.856 -1.153 . . . . 0.0 111.735 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.8 m -88.87 166.2 14.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.492 1.117 . . . . 0.0 112.516 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -20.72 65.22 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.203 1.001 . . . . 0.0 112.608 -174.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -65.09 -17.1 64.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.174 1.39 . . . . 0.0 113.245 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.19 59.6 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.203 1.383 . . . . 0.0 113.733 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.04 148.71 36.57 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.88 1.272 . . . . 0.0 111.565 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.91 110.0 1.96 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 111.195 172.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.84 147.32 19.27 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.423 1.011 . . . . 0.0 112.482 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -106.75 139.78 40.65 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.839 -0.801 . . . . 0.0 111.615 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.95 122.77 15.13 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.24 1.416 . . . . 0.0 112.551 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.3 155.95 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.612 1.565 . . . . 0.0 112.254 176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -76.56 143.47 40.29 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.675 0.79 . . . . 0.0 111.433 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 55.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.051 1.31 . . . . 0.0 111.513 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.21 -178.8 3.47 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.316 1.846 . . . . 0.0 112.593 -159.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.51 158.81 35.27 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 128.445 2.698 . . . . 0.0 110.756 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.09 -39.77 3.8 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.874 2.382 . . . . 0.0 113.512 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -141.26 59.79 11.06 Favored Pre-proline 0 CA--C 1.557 1.225 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.96 160.96 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.056 3.171 . . . . 0.0 113.124 171.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -91.26 18.19 7.34 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.951 1.7 . . . . 0.0 114.891 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.47 40.0 0.22 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.746 2.418 . . . . 0.0 114.669 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 36.0 m -78.09 146.82 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.852 1.261 . . . . 0.0 113.379 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.99 153.88 92.68 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.712 1.205 . . . . 0.0 112.008 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.21 167.6 23.25 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.999 2.466 . . . . 0.0 111.109 163.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -61.88 131.75 36.57 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.201 1.934 . . . . 0.0 110.96 166.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 126.431 1.892 . . . . 0.0 111.622 -177.348 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.1 ttt -70.83 146.19 49.84 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.967 0.907 . . . . 0.0 111.729 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 -6.6 54.66 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -144.68 161.22 39.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.974 1.71 . . . . 0.0 111.126 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -105.57 19.94 19.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.096 1.759 . . . . 0.0 115.2 -173.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.0 t -126.84 138.58 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.923 2.089 . . . . 0.0 110.668 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.39 158.88 37.06 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.286 1.835 . . . . 0.0 111.663 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -116.34 163.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.213 1.805 . . . . 0.0 111.071 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.05 172.5 55.27 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.289 0.947 . . . . 0.0 114.242 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m 54.2 33.93 19.14 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 -80.0 163.44 24.23 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.817 1.247 . . . . 0.0 112.517 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.18 -25.42 25.68 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.818 0.847 . . . . 0.0 112.496 161.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.62 114.77 4.05 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.966 1.269 . . . . 0.0 114.097 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.73 158.45 30.95 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.524 1.13 . . . . 0.0 112.144 170.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -127.33 157.14 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.529 . . . . 0.0 112.158 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -82.55 13.12 3.9 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -166.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -150.56 156.92 42.33 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.537 1.535 . . . . 0.0 112.743 -168.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.62 105.13 8.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.539 1.135 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 p -84.89 -7.72 59.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.685 1.594 . . . . 0.0 114.631 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.33 157.95 44.52 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.126 1.77 . . . . 0.0 111.429 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.262 40.1 ptt180 45.76 34.53 1.86 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 127.186 2.194 . . . . 0.0 114.736 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.4 p30 -98.37 7.12 46.64 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.901 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -71.18 158.8 35.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.613 1.165 . . . . 0.0 112.154 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -134.26 152.23 51.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.096 1.359 . . . . 0.0 114.122 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -144.54 133.92 23.16 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.314 1.846 . . . . 0.0 110.871 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.53 121.19 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 128.358 2.663 . . . . 0.0 116.174 172.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.59 119.06 6.03 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.93 3.086 . . . . 0.0 111.127 168.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -141.11 169.56 17.39 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.343 1.457 . . . . 0.0 114.756 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.22 113.7 16.01 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 128.721 2.808 . . . . 0.0 108.58 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.64 105.23 15.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 124.006 0.923 . . . . 0.0 108.741 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.07 152.32 18.88 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.487 0.715 . . . . 0.0 110.457 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -104.86 150.99 24.37 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.097 0.959 . . . . 0.0 110.619 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -141.46 142.82 33.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.756 1.222 . . . . 0.0 110.886 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -110.04 125.77 53.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -80.87 178.34 8.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.848 1.259 . . . . 0.0 111.898 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.18 -16.17 61.96 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.55 2.9 56.12 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.165 0.893 . . . . 0.0 112.787 171.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.92 8.72 87.14 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 124.933 1.254 . . . . 0.0 114.581 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.21 120.02 20.13 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.779 1.289 . . . . 0.0 108.574 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -102.53 131.25 49.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.538 0.735 . . . . 0.0 111.241 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -129.84 164.25 24.53 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.421 1.488 . . . . 0.0 112.328 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -109.87 134.03 52.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.763 1.225 . . . . 0.0 110.63 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.02 110.03 40.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 125.13 1.372 . . . . 0.0 109.247 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.56 128.83 13.03 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.282 2.655 . . . . 0.0 111.082 172.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.582 1.553 . . . . 0.0 111.302 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.57 158.79 25.65 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.142 -0.974 . . . . 0.0 111.349 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.87 -19.94 54.24 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.286 1.034 . . . . 0.0 113.752 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.49 -12.82 60.31 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.064 1.345 . . . . 0.0 113.504 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.16 173.68 6.65 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.047 2.139 . . . . 0.0 112.806 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.14 167.32 20.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.113 1.765 . . . . 0.0 111.644 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.35 110.03 37.86 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 127.015 2.126 . . . . 0.0 109.875 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.45 151.7 53.78 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.614 2.876 . . . . 0.0 110.789 168.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.88 15.24 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.656 1.598 . . . . 0.0 115.23 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -140.04 159.29 42.5 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.292 1.046 . . . . 0.0 112.514 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -157.83 147.96 20.44 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 112.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.86 24.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.874 -1.141 . . . . 0.0 111.663 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.2 m -91.81 165.99 12.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.652 1.181 . . . . 0.0 112.838 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -67.43 -15.86 63.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.264 1.026 . . . . 0.0 113.753 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.15 -17.13 63.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.092 1.357 . . . . 0.0 113.273 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.62 61.83 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.016 1.293 . . . . 0.0 113.596 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -113.15 147.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.693 1.597 . . . . 0.0 111.166 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.46 110.05 3.46 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.905 0.882 . . . . 0.0 110.374 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.01 148.54 21.59 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.366 0.984 . . . . 0.0 112.731 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.4 m -108.28 137.77 45.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.947 0.899 . . . . 0.0 111.617 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 121.02 10.83 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.769 1.628 . . . . 0.0 111.025 -174.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.65 155.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.078 1.751 . . . . 0.0 111.232 173.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.83 122.41 14.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.101 0.561 . . . . 0.0 110.66 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.94 -17.26 80.15 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -166.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 62.24 135.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 128.178 2.591 . . . . 0.0 115.427 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.2 mt -130.05 139.2 34.94 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.593 1.557 . . . . 0.0 112.028 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.82 -21.97 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.159 2.573 . . . . 0.0 112.325 165.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -131.4 59.97 49.25 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 125.992 1.717 . . . . 0.0 114.903 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.03 141.12 12.81 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.954 3.103 . . . . 0.0 114.552 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -69.65 141.07 53.69 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.629 1.572 . . . . 0.0 111.96 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -130.5 39.93 3.57 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.61 1.564 . . . . 0.0 112.052 -175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.94 137.05 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.359 1.864 . . . . 0.0 109.377 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -133.98 158.47 75.31 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 125.833 1.653 . . . . 0.0 111.643 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.02 161.16 23.21 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 123.342 2.695 . . . . 0.0 113.938 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.85 -23.91 68.39 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.346 2.697 . . . . 0.0 115.285 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.383 1.873 . . . . 0.0 111.383 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -14.66 58.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -174.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.01 33.37 14.63 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.98 1.712 . . . . 0.0 114.923 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.92 -2.4 58.59 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.721 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 54.02 35.48 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.672 1.989 . . . . 0.0 114.847 174.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.84 137.34 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.936 1.295 . . . . 0.0 110.706 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.42 -5.45 49.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.13 1.372 . . . . 0.0 114.424 -170.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.23 149.74 49.93 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.026 1.73 . . . . 0.0 111.731 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.33 171.3 55.17 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.502 1.049 . . . . 0.0 113.942 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -148.45 171.22 16.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.445 1.498 . . . . 0.0 111.914 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -135.69 86.68 2.26 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.657 1.183 . . . . 0.0 111.504 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.6 tp -141.8 28.34 1.77 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.414 2.686 . . . . 0.0 111.156 -8.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.4 -53.16 2.31 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.096 1.332 . . . . 0.0 112.16 -165.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.38 158.74 31.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.998 1.319 . . . . 0.0 111.784 162.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -84.36 -10.07 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.681 1.192 . . . . 0.0 114.095 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 t -109.2 115.48 30.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.582 1.553 . . . . 0.0 110.672 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -161.51 -170.6 2.66 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.857 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -67.09 70.91 0.09 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.436 1.495 . . . . 0.0 112.481 169.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.4 p -66.05 -11.62 49.68 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.127 1.371 . . . . 0.0 114.411 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.95 44.38 0.39 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.728 2.411 . . . . 0.0 113.276 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -72.52 -22.3 61.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.22 1.408 . . . . 0.0 113.647 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -72.01 149.8 44.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.652 1.181 . . . . 0.0 112.114 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -150.3 162.12 41.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.407 1.483 . . . . 0.0 112.584 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -95.28 163.52 13.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.468 1.107 . . . . 0.0 111.899 166.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.1 mt -91.48 84.66 5.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.19 1.396 . . . . 0.0 111.14 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.98 154.09 37.42 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.583 1.553 . . . . 0.0 112.063 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.59 100.48 1.05 Allowed 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.505 2.803 . . . . 0.0 110.978 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -141.09 169.26 17.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.957 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.99 10.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.999 2.52 . . . . 0.0 108.89 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mm -85.21 106.56 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 168.93 10.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.103 0.961 . . . . 0.0 111.267 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -125.45 152.01 45.48 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 110.767 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -142.03 143.58 33.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.225 1.01 . . . . 0.0 112.303 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -110.05 123.77 50.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.299 2.24 . . . . 0.0 110.851 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.8 p -80.48 178.75 8.11 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 111.692 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.0 -16.09 62.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.3 2.55 56.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.119 0.872 . . . . 0.0 112.755 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.25 9.29 86.74 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.137 1.351 . . . . 0.0 114.825 -168.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.42 119.97 19.34 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.673 1.237 . . . . 0.0 108.477 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -102.55 130.26 49.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.465 0.706 . . . . 0.0 112.113 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.5 163.91 23.08 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.998 1.719 . . . . 0.0 111.686 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 137.3 47.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.28 1.432 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 t -126.96 110.09 21.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.889 1.275 . . . . 0.0 110.95 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -70.16 130.03 18.17 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.445 3.43 . . . . 0.0 112.129 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.42 140.66 49.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.228 1.811 . . . . 0.0 111.525 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 162.55 20.81 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.993 0.917 . . . . 0.0 111.791 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.9 -26.04 45.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.203 1.401 . . . . 0.0 114.626 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.44 -12.69 60.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.793 1.237 . . . . 0.0 114.118 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.46 164.19 14.64 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.783 2.033 . . . . 0.0 112.655 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 149.44 48.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.952 1.301 . . . . 0.0 111.495 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.88 110.12 3.43 Favored Pre-proline 0 C--O 1.239 0.512 0 C-N-CA 127.882 2.473 . . . . 0.0 111.382 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.07 150.33 60.05 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.373 2.715 . . . . 0.0 110.582 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.98 15.78 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.571 1.558 . . . . 0.0 115.144 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.98 159.32 42.45 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.121 0.961 . . . . 0.0 112.558 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -157.62 148.03 20.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.393 1.477 . . . . 0.0 112.353 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.95 125.34 26.47 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.849 -1.157 . . . . 0.0 111.756 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.11 164.29 13.64 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.651 1.18 . . . . 0.0 112.79 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.88 -16.06 63.5 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -67.73 -17.02 64.42 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.264 1.026 . . . . 0.0 112.927 170.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 13.94 60.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.241 1.4 . . . . 0.0 113.63 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.6 tpp -114.85 147.42 39.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.676 1.59 . . . . 0.0 111.398 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.28 110.1 3.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.01 0.924 . . . . 0.0 110.392 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.79 148.86 21.27 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.436 1.017 . . . . 0.0 112.857 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.1 m -107.91 138.61 43.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.231 1.012 . . . . 0.0 111.61 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 121.79 12.73 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.415 1.486 . . . . 0.0 111.945 -171.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.65 156.04 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.06 1.744 . . . . 0.0 112.057 174.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.64 151.17 37.81 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.635 -0.666 . . . . 0.0 111.559 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.45 -19.03 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -150.75 155.37 39.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.034 1.733 . . . . 0.0 108.839 169.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.5 152.2 49.27 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.822 1.649 . . . . 0.0 112.112 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.96 69.78 6.86 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 124.291 3.327 . . . . 0.0 111.193 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 42.3 73.31 0.94 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 128.187 2.595 . . . . 0.0 115.297 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.5 172.76 1.31 Allowed 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.814 3.009 . . . . 0.0 114.178 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -61.59 -29.93 70.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.653 1.181 . . . . 0.0 113.795 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? 48.68 62.16 2.71 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.745 2.018 . . . . 0.0 113.256 171.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.6 30.11 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 126.249 1.819 . . . . 0.0 114.82 -173.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -133.62 156.51 79.48 Favored Pre-proline 0 N--CA 1.479 0.998 0 C-N-CA 126.427 1.891 . . . . 0.0 111.852 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -59.28 151.96 63.77 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.309 2.673 . . . . 0.0 113.859 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.14 -15.53 16.19 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.654 2.903 . . . . 0.0 114.156 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.022 1.729 . . . . 0.0 112.157 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.545 0.212 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.1 tpt -97.58 -8.06 29.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.687 1.195 . . . . 0.0 113.488 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.94 156.17 42.86 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.646 1.578 . . . . 0.0 111.481 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -104.57 156.5 17.91 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 128.709 2.804 . . . . 0.0 112.458 -0.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 54.27 27.22 7.66 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 126.84 2.056 . . . . 0.0 115.294 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.7 t -79.98 142.75 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 126.183 1.793 . . . . 0.0 109.261 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -71.72 155.28 40.65 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.667 1.587 . . . . 0.0 113.499 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.38 -169.84 1.65 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.333 1.853 . . . . 0.0 110.296 168.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.66 54.37 0.34 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 124.4 1.0 . . . . 0.0 113.409 167.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 m -61.49 -17.3 53.97 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.379 1.872 . . . . 0.0 115.013 -166.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -67.7 -23.31 65.27 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt 59.79 -67.33 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.501 2.72 . . . . 0.0 114.117 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.0 170.66 54.7 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.969 1.271 . . . . 0.0 113.433 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.24 39.13 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.818 1.247 . . . . 0.0 114.006 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -140.48 125.51 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.621 1.568 . . . . 0.0 109.4 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -91.38 133.11 35.73 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.371 1.068 . . . . 0.0 112.576 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -153.73 -166.47 2.4 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.436 1.894 . . . . 0.0 109.997 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.06 28.5 0.05 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -67.8 -14.18 62.74 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.091 -1.631 . . . . 0.0 114.41 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -114.01 29.91 7.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.7 2.0 . . . . 0.0 112.797 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -59.7 -20.91 59.42 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.373 1.469 . . . . 0.0 114.241 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.2 -41.01 87.52 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.348 1.059 . . . . 0.0 113.049 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -162.43 97.38 0.99 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.615 1.166 . . . . 0.0 111.465 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.81 163.83 38.98 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.873 2.869 . . . . 0.0 110.893 -12.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.14 133.95 34.57 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.938 0.895 . . . . 0.0 111.564 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.3 165.29 17.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 126.492 1.917 . . . . 0.0 110.053 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -60.94 107.25 0.43 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.165 1.91 . . . . 0.0 108.298 157.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -141.04 165.98 26.04 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -165.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.82 110.39 9.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 128.444 2.698 . . . . 0.0 108.629 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mm -89.91 100.98 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.259 -0.9 . . . . 0.0 109.106 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.05 139.47 33.01 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 111.644 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -91.62 150.57 21.1 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.603 0.761 . . . . 0.0 111.249 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -141.64 142.21 33.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -109.34 125.0 51.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.945 1.698 . . . . 0.0 111.471 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -79.46 177.81 8.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.987 1.315 . . . . 0.0 111.67 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.39 -16.11 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -90.75 2.78 55.72 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.179 0.9 . . . . 0.0 112.707 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.63 89.03 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.234 1.397 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.5 120.17 18.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.699 1.249 . . . . 0.0 109.264 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -102.43 132.85 48.19 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.584 0.706 . . . . 0.0 111.912 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -127.84 161.86 28.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.897 1.679 . . . . 0.0 111.622 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -111.04 133.65 53.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.552 1.541 . . . . 0.0 111.388 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 t -123.94 110.02 29.61 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 126.094 1.757 . . . . 0.0 110.399 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -70.03 130.08 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.824 3.016 . . . . 0.0 112.54 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -118.16 141.69 48.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.434 1.893 . . . . 0.0 111.237 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.52 159.38 21.71 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.202 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.25 -19.96 56.9 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.757 1.223 . . . . 0.0 113.63 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.94 -13.13 61.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.902 1.281 . . . . 0.0 113.307 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.97 162.49 18.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.911 2.084 . . . . 0.0 112.35 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -131.83 139.84 48.96 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.897 1.279 . . . . 0.0 111.073 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -56.23 110.15 2.14 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 127.932 2.493 . . . . 0.0 111.323 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.47 149.42 56.09 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.188 2.592 . . . . 0.0 110.447 169.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.88 15.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.49 1.519 . . . . 0.0 115.246 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.97 160.13 40.62 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.063 0.931 . . . . 0.0 112.309 170.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.1 148.14 23.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.506 1.522 . . . . 0.0 111.593 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 124.84 25.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.95 -1.094 . . . . 0.0 111.791 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.79 162.44 14.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.423 1.089 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -69.17 -10.86 59.75 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -68.56 -17.16 64.09 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.283 1.033 . . . . 0.0 112.763 167.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 12.56 61.77 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.212 1.387 . . . . 0.0 113.586 -173.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.9 tpp -113.74 146.54 39.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.678 1.591 . . . . 0.0 111.308 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.15 110.04 3.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.752 0.821 . . . . 0.0 110.312 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.82 148.38 22.54 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.288 0.947 . . . . 0.0 112.652 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.6 m -107.01 138.75 42.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.801 0.841 . . . . 0.0 111.62 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 122.07 13.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.824 1.65 . . . . 0.0 111.074 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.66 155.72 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.785 1.634 . . . . 0.0 111.462 173.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 152.72 23.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.036 0.934 . . . . 0.0 111.907 167.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.4 -35.74 0.02 OUTLIER Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.274 0.87 . . . . 0.0 115.274 173.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -152.5 174.62 13.67 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.964 1.706 . . . . 0.0 110.863 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.94 126.82 92.65 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.897 1.679 . . . . 0.0 112.253 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.63 35.27 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.494 3.463 . . . . 0.0 113.914 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 45.52 59.96 14.12 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.978 1.711 . . . . 0.0 112.771 -158.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.75 158.71 54.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.732 2.955 . . . . 0.0 112.902 -173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.5 -32.01 28.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.387 1.075 . . . . 0.0 113.097 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -82.49 39.93 0.63 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.064 1.746 . . . . 0.0 114.022 -170.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.08 29.89 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 126.149 1.78 . . . . 0.0 112.003 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -144.37 143.55 22.39 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 126.419 1.887 . . . . 0.0 110.822 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -59.47 152.48 61.19 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 123.1 2.533 . . . . 0.0 113.997 176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.07 161.05 47.3 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.682 2.921 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.119 1.368 . . . . 0.0 112.486 176.184 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.98 152.59 37.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.849 1.26 . . . . 0.0 112.076 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.8 -34.53 26.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.458 172.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.33 136.33 24.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.428 1.891 . . . . 0.0 110.44 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -154.64 157.89 38.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.366 3.466 . . . . 0.0 110.899 -8.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -85.76 131.37 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.439 1.095 . . . . 0.0 109.401 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -87.55 -0.24 56.55 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -168.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -138.09 140.36 39.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.522 1.529 . . . . 0.0 111.444 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.74 164.73 12.27 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.817 1.199 . . . . 0.0 114.768 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -88.94 -20.83 24.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -135.77 4.73 3.07 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.63 -19.91 66.1 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.296 -0.878 . . . . 0.0 113.305 -177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.39 -14.28 61.82 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.26 0.933 . . . . 0.0 114.964 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.35 29.97 2.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.443 1.497 . . . . 0.0 113.32 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.07 136.39 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 126.03 1.732 . . . . 0.0 110.654 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 m -130.77 19.56 5.09 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.458 . . . . 0.0 113.046 -172.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -149.36 161.22 42.5 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.429 1.892 . . . . 0.0 111.431 -169.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.89 45.89 0.75 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.714 1.605 . . . . 0.0 114.61 -171.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m 57.19 87.45 0.06 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.848 2.059 . . . . 0.0 112.619 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -76.43 29.94 0.12 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.347 1.459 . . . . 0.0 114.548 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -9.68 17.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.067 2.147 . . . . 0.0 112.924 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -75.38 154.93 36.92 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.039 1.336 . . . . 0.0 111.883 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.95 153.51 43.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.296 1.038 . . . . 0.0 113.476 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -150.9 167.48 27.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 114.493 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.7 160.11 32.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.216 1.006 . . . . 0.0 109.719 158.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.16 75.42 0.54 Allowed Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.625 1.57 . . . . 0.0 112.822 -173.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.45 111.27 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 124.849 3.7 . . . . 0.0 114.004 -173.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -141.17 169.23 17.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.862 2.065 . . . . 0.0 112.686 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.0 105.94 8.07 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 127.07 2.148 . . . . 0.0 108.87 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mm -85.8 106.21 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 157.1 16.06 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.339 0.656 . . . . 0.0 110.462 172.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -110.48 151.18 27.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.715 1.206 . . . . 0.0 110.614 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -141.47 142.24 33.63 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 111.788 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -110.0 125.95 53.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.378 1.871 . . . . 0.0 111.485 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -80.65 178.07 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.947 1.299 . . . . 0.0 111.875 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.3 -16.0 61.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.22 1.6 56.29 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.132 0.878 . . . . 0.0 112.704 170.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.33 86.41 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 125.106 1.336 . . . . 0.0 114.787 -168.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.82 119.99 20.57 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.039 1.42 . . . . 0.0 109.127 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -102.52 130.15 49.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.835 0.854 . . . . 0.0 111.969 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -130.06 164.07 25.16 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.855 1.662 . . . . 0.0 112.22 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -110.05 136.43 49.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.123 1.369 . . . . 0.0 111.872 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.96 109.95 21.95 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 125.075 1.35 . . . . 0.0 110.773 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.42 130.07 16.79 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.423 3.415 . . . . 0.0 112.339 169.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.363 1.865 . . . . 0.0 111.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.31 160.85 22.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.004 0.921 . . . . 0.0 111.409 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.23 -20.0 56.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.437 1.095 . . . . 0.0 113.632 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.97 -12.66 61.35 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.999 1.32 . . . . 0.0 113.546 172.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.45 23.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.69 1.996 . . . . 0.0 112.644 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -133.15 142.6 48.75 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.124 1.37 . . . . 0.0 111.379 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.36 110.07 2.31 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 128.1 2.56 . . . . 0.0 111.689 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.84 149.44 53.89 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.302 2.668 . . . . 0.0 110.581 169.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.39 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.43 1.49 . . . . 0.0 115.409 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.92 41.08 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.143 0.972 . . . . 0.0 112.01 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -156.5 148.05 22.59 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.127 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 124.27 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.886 -1.134 . . . . 0.0 111.653 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.7 m -95.07 165.43 12.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.692 1.197 . . . . 0.0 112.894 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -64.6 -18.74 65.17 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -67.3 -17.05 64.61 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.519 1.128 . . . . 0.0 113.147 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 14.66 58.95 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.162 1.363 . . . . 0.0 113.684 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -116.53 148.07 41.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.01 1.724 . . . . 0.0 110.982 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.45 110.06 3.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.427 0.632 . . . . 0.0 110.257 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.6 149.08 26.81 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.295 0.95 . . . . 0.0 112.417 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.6 m -106.83 138.33 43.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.013 0.925 . . . . 0.0 111.664 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 121.8 12.79 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.146 1.778 . . . . 0.0 111.839 -172.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 156.05 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.971 1.708 . . . . 0.0 112.056 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -141.3 135.16 30.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.468 1.107 . . . . 0.0 111.0 168.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.46 18.6 0.09 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.41 19.69 5.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.405 1.482 . . . . 0.0 114.7 -171.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.9 mt -130.11 147.16 64.52 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.233 1.813 . . . . 0.0 111.129 169.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.74 -46.18 0.14 Allowed 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.616 2.211 . . . . 0.0 112.722 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.31 60.02 24.76 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.83 1.652 . . . . 0.0 111.512 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.2 145.54 66.83 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.354 2.703 . . . . 0.0 113.7 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -78.48 -23.13 46.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.89 1.276 . . . . 0.0 112.336 167.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -68.71 114.86 7.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.375 1.87 . . . . 0.0 111.193 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -144.19 143.58 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 126.293 1.837 . . . . 0.0 108.87 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -64.06 139.07 97.59 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 123.9 0.88 . . . . 0.0 111.741 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.8 162.05 36.49 Favored 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 123.046 2.497 . . . . 0.0 112.786 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.18 150.35 71.69 Favored 'Cis proline' 0 C--N 1.353 0.767 0 CA-C-N 119.649 0.91 . . . . 0.0 114.362 -0.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.49 1.516 . . . . 0.0 112.052 -172.015 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 tpt -64.31 139.65 58.79 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.662 1.185 . . . . 0.0 110.93 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.02 129.38 37.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.878 2.871 . . . . 0.0 114.129 2.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -143.18 25.12 1.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.633 1.573 . . . . 0.0 112.16 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -135.18 161.01 36.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.066 1.747 . . . . 0.0 111.869 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.82 22.85 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.792 1.637 . . . . 0.0 114.099 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.56 148.23 50.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.726 1.21 . . . . 0.0 112.775 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -112.67 168.64 9.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.701 2.0 . . . . 0.0 111.949 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.94 -6.08 47.22 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.444 1.497 . . . . 0.0 115.634 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t -82.09 118.53 23.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.777 1.289 . . . . 0.0 110.246 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -146.63 25.13 1.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.826 3.25 . . . . 0.0 113.544 -4.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp 52.97 35.87 20.44 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.398 1.879 . . . . 0.0 113.472 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.52 163.94 27.17 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.889 1.709 . . . . 0.0 112.062 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.31 30.26 7.78 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.372 1.469 . . . . 0.0 114.875 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -147.56 148.88 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.089 1.756 . . . . 0.0 110.976 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m -87.66 130.55 34.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.391 1.076 . . . . 0.0 112.687 -171.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -155.91 168.7 26.4 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.064 1.746 . . . . 0.0 111.619 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.04 109.97 1.23 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.203 1.001 . . . . 0.0 111.336 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -120.16 138.8 53.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.745 1.618 . . . . 0.0 111.016 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.07 56.63 3.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.274 1.43 . . . . 0.0 112.653 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.251 33.3 ptt180 48.93 29.65 2.43 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.526 2.33 . . . . 0.0 115.69 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -125.97 147.67 49.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.851 1.261 . . . . 0.0 113.897 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -125.84 23.27 7.3 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.248 1.819 . . . . 0.0 110.825 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -157.04 170.79 21.73 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.168 2.587 . . . . 0.0 111.873 -170.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.09 157.14 26.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.312 0.645 . . . . 0.0 110.021 157.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 50.0 61.03 14.37 Favored Pre-proline 0 CA--C 1.558 1.251 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.03 151.58 49.26 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 124.356 3.371 . . . . 0.0 114.486 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -141.15 167.87 21.14 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.969 1.707 . . . . 0.0 115.422 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.54 106.66 6.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.448 2.699 . . . . 0.0 109.745 -176.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.08 108.06 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.299 -0.876 . . . . 0.0 108.705 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.87 162.81 13.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.034 0.934 . . . . 0.0 110.671 163.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -120.67 150.13 41.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.074 1.35 . . . . 0.0 111.474 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.92 139.43 34.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.484 1.113 . . . . 0.0 112.076 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -106.47 125.8 51.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.553 1.941 . . . . 0.0 111.25 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -81.71 177.84 8.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.663 1.185 . . . . 0.0 111.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.84 -15.01 61.62 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.0 0.58 56.54 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 119.101 0.864 . . . . 0.0 112.539 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.49 7.19 87.86 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.404 1.478 . . . . 0.0 114.901 -167.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.14 120.04 19.16 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.77 1.285 . . . . 0.0 109.067 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.47 130.34 49.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.797 0.839 . . . . 0.0 111.989 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.73 164.22 22.6 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.133 1.773 . . . . 0.0 111.678 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.05 134.14 54.66 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.115 1.366 . . . . 0.0 110.255 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -122.18 110.05 32.98 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 124.744 1.217 . . . . 0.0 110.362 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.6 120.5 4.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.511 2.808 . . . . 0.0 111.559 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -103.4 144.02 31.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.622 1.969 . . . . 0.0 111.11 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.81 157.68 23.08 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.178 -0.951 . . . . 0.0 111.569 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.73 -20.13 46.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.255 1.422 . . . . 0.0 113.993 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.1 -11.65 56.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.48 160.96 15.01 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.621 1.968 . . . . 0.0 112.017 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -131.9 138.55 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.859 1.264 . . . . 0.0 111.085 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.3 110.14 2.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 C-N-CA 127.786 2.434 . . . . 0.0 111.688 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -72.95 149.83 47.84 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.478 2.785 . . . . 0.0 111.023 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.99 -29.95 15.29 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.657 1.599 . . . . 0.0 115.207 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.91 160.7 39.32 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.116 0.958 . . . . 0.0 112.596 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -155.64 146.81 22.54 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.872 1.269 . . . . 0.0 112.525 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.86 123.91 22.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.731 -1.231 . . . . 0.0 111.754 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -98.19 163.87 12.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.015 1.326 . . . . 0.0 113.197 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.24 -13.29 62.14 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -173.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -66.89 -17.1 64.74 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 112.549 167.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 18.13 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.32 1.438 . . . . 0.0 113.653 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.0 tpt -122.0 150.47 42.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.541 1.537 . . . . 0.0 111.056 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.69 110.0 3.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.607 -0.683 . . . . 0.0 110.3 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 148.05 26.92 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.713 1.149 . . . . 0.0 112.059 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.2 m -107.71 137.64 45.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 111.866 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.77 120.91 9.84 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.541 1.536 . . . . 0.0 112.141 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.75 156.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.391 1.876 . . . . 0.0 110.499 174.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.64 104.28 0.12 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.383 1.073 . . . . 0.0 112.195 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.3 48.84 0.03 OUTLIER Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.667 1.603 . . . . 0.0 110.338 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -157.72 149.28 21.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.62 2.368 . . . . 0.0 108.66 -162.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.49 143.51 90.39 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.385 1.074 . . . . 0.0 111.022 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.33 43.92 1.59 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.714 3.609 . . . . 0.0 112.509 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 37.36 59.84 4.09 Favored Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 128.502 2.721 . . . . 0.0 113.473 -172.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -83.98 59.82 6.22 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 123.351 2.701 . . . . 0.0 113.551 -164.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -164.47 -36.73 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.229 2.611 . . . . 0.0 111.299 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -67.38 134.48 51.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.041 2.136 . . . . 0.0 112.676 -174.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -137.42 134.76 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.924 1.689 . . . . 0.0 109.635 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -137.64 149.6 65.41 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 125.85 1.66 . . . . 0.0 111.034 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.17 154.2 66.32 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.186 2.59 . . . . 0.0 112.266 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.75 145.27 56.67 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.329 2.686 . . . . 0.0 112.088 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.266 1.826 . . . . 0.0 111.719 179.189 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.27 156.57 48.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.565 1.546 . . . . 0.0 111.476 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.43 152.89 41.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.991 0.916 . . . . 0.0 112.612 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -98.11 -24.58 15.25 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.523 1.529 . . . . 0.0 113.115 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -71.26 159.98 33.64 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.736 1.214 . . . . 0.0 113.432 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.19 19.86 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.217 1.407 . . . . 0.0 112.96 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.34 164.4 27.84 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.244 1.818 . . . . 0.0 111.851 -174.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -99.68 167.85 10.31 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.556 1.542 . . . . 0.0 112.502 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.36 7.2 76.7 Favored Glycine 0 CA--C 1.538 1.503 0 N-CA-C 117.222 1.649 . . . . 0.0 117.222 167.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -149.92 168.03 24.95 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.372 1.586 . . . . 0.0 112.481 173.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -99.58 -18.25 17.44 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -172.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.01 147.18 53.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.066 0.947 . . . . 0.0 112.29 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.29 17.11 73.9 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 114.981 0.752 . . . . 0.0 114.981 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 167.65 24.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.769 1.628 . . . . 0.0 111.913 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 m -133.77 148.87 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.78 1.632 . . . . 0.0 111.451 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -83.3 155.23 23.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.071 2.548 . . . . 0.0 112.749 -6.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -122.37 0.2 9.42 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.459 1.504 . . . . 0.0 113.858 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 55.0 20.87 3.41 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.395 2.278 . . . . 0.0 115.635 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m 52.54 28.15 5.75 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.62 1.568 . . . . 0.0 113.104 -171.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -77.41 134.2 38.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.28 . . . . 0.0 111.898 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -136.21 63.63 1.58 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.466 1.506 . . . . 0.0 111.579 -170.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -65.12 161.67 18.53 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.116 0.967 . . . . 0.0 112.446 173.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -85.52 145.3 27.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.076 0.95 . . . . 0.0 111.794 171.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -145.08 158.52 43.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.263 1.825 . . . . 0.0 111.177 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.8 155.34 50.79 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.94 1.696 . . . . 0.0 111.455 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.8 151.45 53.21 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.64 1.576 . . . . 0.0 111.144 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.52 69.84 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 123.561 2.84 . . . . 0.0 111.754 -176.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -141.06 167.08 23.05 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.722 1.609 . . . . 0.0 114.273 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.61 112.79 11.74 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 128.419 2.688 . . . . 0.0 108.832 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.93 110.04 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.1 161.16 13.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.822 0.849 . . . . 0.0 111.226 165.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -116.33 150.2 38.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.329 1.452 . . . . 0.0 110.727 170.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.01 142.77 36.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.302 1.041 . . . . 0.0 111.694 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -110.12 124.61 51.84 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.94 2.096 . . . . 0.0 110.932 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p -80.26 178.89 7.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.995 1.318 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.29 -16.63 61.37 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.2 1.94 54.95 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.155 0.889 . . . . 0.0 112.723 170.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.42 8.85 87.15 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.202 1.382 . . . . 0.0 114.791 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.71 119.93 18.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.636 1.218 . . . . 0.0 108.478 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.43 129.47 48.94 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.475 0.71 . . . . 0.0 111.731 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -125.0 162.53 24.33 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.572 1.549 . . . . 0.0 111.367 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.91 137.94 46.99 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.392 1.077 . . . . 0.0 110.839 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.5 110.03 26.01 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 124.808 1.243 . . . . 0.0 110.184 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -72.42 130.03 15.62 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.882 3.055 . . . . 0.0 111.24 168.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -114.14 143.94 43.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.22 1.808 . . . . 0.0 110.714 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.46 157.92 19.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.092 -1.005 . . . . 0.0 111.388 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.1 -19.97 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -80.58 -12.47 59.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.66 174.95 5.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.327 2.251 . . . . 0.0 112.318 175.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.17 163.71 31.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.853 1.661 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -83.68 110.12 22.89 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.645 2.378 . . . . 0.0 111.028 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.33 151.82 54.59 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.617 2.878 . . . . 0.0 110.964 166.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -30.01 14.97 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.555 1.55 . . . . 0.0 115.203 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -139.91 159.42 42.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.154 0.977 . . . . 0.0 112.777 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.67 148.12 20.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.372 . . . . 0.0 112.605 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 122.43 18.24 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.958 -1.089 . . . . 0.0 111.933 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.4 m -86.95 161.86 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.434 1.093 . . . . 0.0 112.08 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -17.23 63.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.797 0.839 . . . . 0.0 112.803 -173.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -65.64 -17.08 64.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.065 1.346 . . . . 0.0 113.208 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 12.52 59.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.327 1.441 . . . . 0.0 113.84 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -112.28 148.1 34.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.98 1.312 . . . . 0.0 111.329 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.11 110.07 3.28 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.712 0.805 . . . . 0.0 110.307 174.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.15 148.55 21.51 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.441 1.02 . . . . 0.0 112.766 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 m -105.86 140.04 39.49 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.866 -0.785 . . . . 0.0 111.609 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 tp -58.37 120.82 9.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.507 1.523 . . . . 0.0 113.467 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.12 155.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 126.2 1.8 . . . . 0.0 111.072 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -142.46 135.76 28.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.424 1.089 . . . . 0.0 110.798 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.3 5.05 0.04 OUTLIER Glycine 0 CA--C 1.539 1.542 0 N-CA-C 117.205 1.642 . . . . 0.0 117.205 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -150.8 142.91 24.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.439 1.619 . . . . 0.0 109.878 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.1 mp -41.63 107.5 0.51 Allowed Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 129.88 3.272 . . . . 0.0 114.204 -173.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -76.69 51.29 3.28 Favored 'Trans proline' 0 CA--C 1.547 1.174 0 C-N-CA 124.702 3.601 . . . . 0.0 112.505 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 49.88 68.73 3.18 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 127.042 2.137 . . . . 0.0 111.052 -154.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . 0.286 0.6 OUTLIER 38.23 165.41 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.744 1 C-N-CA 127.577 5.518 . . . . 0.0 119.186 -151.403 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.37 149.81 47.99 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.408 -0.808 . . . . 0.0 113.117 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -113.7 148.69 35.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.121 1.768 . . . . 0.0 108.841 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.48 161.94 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.272 1.029 . . . . 0.0 113.192 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt 50.02 79.46 0.34 Allowed Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 127.043 2.137 . . . . 0.0 114.897 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -72.83 142.84 75.82 Favored 'Cis proline' 0 CA--C 1.542 0.896 0 CA-C-N 119.637 0.906 . . . . 0.0 113.378 0.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -71.86 178.56 5.69 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.949 3.1 . . . . 0.0 112.167 173.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 124.83 1.252 . . . . 0.0 112.573 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.8 ttt 55.5 91.64 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.013 2.125 . . . . 0.0 113.699 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.65 -21.1 28.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.155 0.982 . . . . 0.0 113.063 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -82.1 50.96 1.67 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.206 2.202 . . . . 0.0 112.762 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -77.44 28.73 0.15 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.869 2.067 . . . . 0.0 114.354 -171.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.98 158.43 4.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 127.016 2.127 . . . . 0.0 112.041 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.83 149.33 36.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.389 1.476 . . . . 0.0 111.865 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -143.08 146.09 33.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.521 1.928 . . . . 0.0 110.722 -174.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.84 -49.37 2.09 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.64 1.591 . . . . 0.0 114.606 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.4 p -58.54 -29.56 66.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.788 1.635 . . . . 0.0 113.789 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.85 -12.0 61.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.677 1.991 . . . . 0.0 114.146 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.35 -37.44 83.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.378 1.071 . . . . 0.0 111.091 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.56 10.26 82.56 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 165.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 169.26 7.04 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 1.424 . . . . 0.0 113.618 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.86 149.24 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.0 1.72 . . . . 0.0 111.382 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -73.49 160.63 31.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.459 2.703 . . . . 0.0 113.294 -3.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.51 164.09 31.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.793 1.637 . . . . 0.0 111.301 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.49 50.95 1.26 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.527 1.531 . . . . 0.0 110.754 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p 60.82 4.0 0.72 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.353 2.261 . . . . 0.0 115.67 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.07 29.84 0.4 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.229 1.812 . . . . 0.0 114.815 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -98.8 -5.86 30.37 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.733 1.613 . . . . 0.0 113.73 168.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -135.36 139.23 44.08 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.144 1.778 . . . . 0.0 110.087 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -141.29 161.51 37.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.118 1.367 . . . . 0.0 112.654 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 60.65 170.39 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.078 2.151 . . . . 0.0 115.169 -172.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -129.39 154.09 47.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.183 1.793 . . . . 0.0 110.791 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 49.91 70.37 2.09 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 126.696 1.998 . . . . 0.0 114.618 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -64.3 172.49 6.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.835 3.023 . . . . 0.0 113.848 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -140.9 164.52 30.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.28 1.432 . . . . 0.0 114.2 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.86 110.52 9.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 128.386 2.674 . . . . 0.0 108.795 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.27 103.63 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.376 -0.828 . . . . 0.0 109.11 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 164.23 12.65 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.699 0.761 . . . . 0.0 110.0 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.01 147.96 51.82 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.744 1.218 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -138.51 138.17 37.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.755 0.822 . . . . 0.0 112.137 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -104.14 124.96 50.03 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.352 1.461 . . . . 0.0 111.669 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.3 177.47 8.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.936 1.294 . . . . 0.0 111.707 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.67 -15.79 61.7 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.59 2.03 56.21 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.292 0.951 . . . . 0.0 112.703 171.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.31 5.64 86.97 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 125.16 1.362 . . . . 0.0 114.984 -168.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.18 120.1 20.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.962 1.381 . . . . 0.0 109.381 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.56 130.6 49.46 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.778 0.831 . . . . 0.0 111.827 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -129.01 163.46 25.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.731 1.612 . . . . 0.0 111.973 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.97 138.97 45.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.118 1.367 . . . . 0.0 111.506 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.84 109.78 18.57 Favored Pre-proline 0 N--CA 1.473 0.723 0 C-N-CA 125.211 1.404 . . . . 0.0 110.459 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -70.32 130.02 17.96 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 124.18 3.253 . . . . 0.0 111.861 169.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.56 142.5 46.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.201 1.801 . . . . 0.0 111.26 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 159.34 20.95 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.316 -0.865 . . . . 0.0 111.244 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.61 -19.93 59.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.546 1.139 . . . . 0.0 113.62 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.95 -14.18 61.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.95 1.3 . . . . 0.0 113.358 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.52 162.9 16.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.659 1.984 . . . . 0.0 112.593 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.22 139.16 49.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.044 1.338 . . . . 0.0 111.175 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.63 110.26 2.77 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 128.073 2.549 . . . . 0.0 111.69 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -71.07 149.96 59.46 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.295 2.664 . . . . 0.0 110.8 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.03 -29.95 15.52 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.538 1.542 . . . . 0.0 115.06 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -140.08 160.33 40.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 112.695 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -156.33 148.05 22.83 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.131 1.372 . . . . 0.0 112.033 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 125.51 27.0 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.906 -1.122 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.7 m -92.74 163.78 13.62 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.693 1.197 . . . . 0.0 112.801 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -66.34 -14.77 62.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.53 -17.05 64.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.97 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 12.7 61.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.078 1.323 . . . . 0.0 113.572 -173.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.0 tpp -114.55 148.45 37.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.753 1.621 . . . . 0.0 111.544 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.18 110.04 3.31 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.946 0.898 . . . . 0.0 110.492 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.36 147.28 20.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.711 1.148 . . . . 0.0 112.619 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.6 m -108.82 137.65 46.41 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.819 0.848 . . . . 0.0 111.951 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.66 125.18 22.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.484 1.514 . . . . 0.0 113.187 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.62 148.22 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.517 1.527 . . . . 0.0 111.113 172.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.34 95.86 9.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.598 0.713 . . . . 0.0 111.038 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.29 69.29 2.27 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.098 1.332 . . . . 0.0 112.558 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 62.41 47.5 5.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.165 1.786 . . . . 0.0 113.252 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -110.24 159.25 32.72 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.08 1.752 . . . . 0.0 111.194 169.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -87.66 80.1 0.06 OUTLIER 'Cis proline' 0 CA--C 1.544 0.994 0 C-N-CA 130.236 1.349 . . . . 0.0 112.538 0.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 38.31 61.28 4.68 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.236 2.214 . . . . 0.0 114.131 -165.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.46 151.09 63.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.344 2.696 . . . . 0.0 114.098 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -141.18 143.42 34.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.488 1.515 . . . . 0.0 111.688 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.32 155.59 43.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.7 2.0 . . . . 0.0 110.562 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.26 158.24 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.492 1.517 . . . . 0.0 112.023 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.95 154.13 77.75 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 124.854 1.262 . . . . 0.0 112.012 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.66 152.94 98.86 Favored 'Cis proline' 0 CA--C 1.547 1.154 0 CA-C-N 119.431 0.833 . . . . 0.0 112.676 -4.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -76.31 -15.47 17.94 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.54 2.827 . . . . 0.0 114.106 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.048 1.739 . . . . 0.0 112.123 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.3 ttt -67.63 -17.98 64.8 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.67 -3.88 30.92 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.373 1.469 . . . . 0.0 114.387 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.53 -24.12 67.04 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.671 1.188 . . . . 0.0 113.781 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -137.75 164.31 29.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.857 1.263 . . . . 0.0 112.974 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t 54.28 29.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 126.405 1.882 . . . . 0.0 113.215 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp 51.74 26.78 3.67 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.256 1.822 . . . . 0.0 113.959 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -70.8 141.56 51.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.152 1.381 . . . . 0.0 112.245 -173.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.84 177.12 42.8 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.629 1.109 . . . . 0.0 113.505 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -85.16 154.85 21.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.403 1.081 . . . . 0.0 112.469 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -137.01 139.31 41.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.731 1.613 . . . . 0.0 110.945 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -93.16 -24.48 18.22 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.457 1.281 . . . . 0.0 114.457 -171.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.42 162.26 28.87 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 123.834 0.731 . . . . 0.0 114.285 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.13 157.44 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.325 2.25 . . . . 0.0 115.42 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.18 -14.55 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 125.381 1.472 . . . . 0.0 113.721 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -142.39 130.75 22.28 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.34 1.456 . . . . 0.0 110.305 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -160.9 -40.17 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.256 1.423 . . . . 0.0 112.949 -168.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -159.36 27.52 0.2 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.286 2.234 . . . . 0.0 110.962 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -86.93 -4.82 59.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.911 1.284 . . . . 0.0 113.361 -167.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -77.82 29.98 0.16 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 114.621 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -78.88 153.62 30.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.655 1.582 . . . . 0.0 111.894 174.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.39 28.94 6.44 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.326 1.45 . . . . 0.0 112.519 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -69.37 -33.69 73.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 112.341 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -105.13 169.99 8.13 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.945 1.698 . . . . 0.0 111.891 170.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.13 123.57 22.45 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.73 1.212 . . . . 0.0 109.775 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.07 66.65 16.67 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.725 1.21 . . . . 0.0 111.568 -174.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 115.3 3.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.181 3.254 . . . . 0.0 110.554 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -141.12 167.15 22.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.346 1.458 . . . . 0.0 114.819 -170.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.31 115.49 17.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 128.621 2.768 . . . . 0.0 108.813 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.94 107.44 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 124.317 1.047 . . . . 0.0 109.211 175.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.59 14.82 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.625 0.77 . . . . 0.0 110.516 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -116.84 149.14 40.52 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.899 1.28 . . . . 0.0 109.721 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -137.46 137.36 38.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.855 0.862 . . . . 0.0 111.927 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -104.04 123.46 47.25 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.371 1.468 . . . . 0.0 111.539 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -78.64 178.19 8.03 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.166 1.386 . . . . 0.0 111.765 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.16 -15.92 61.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.19 3.01 55.9 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.238 0.926 . . . . 0.0 112.668 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 5.77 88.27 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.2 1.381 . . . . 0.0 114.916 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.37 120.04 20.28 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.806 1.303 . . . . 0.0 109.229 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.45 129.59 49.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.796 0.838 . . . . 0.0 111.941 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -127.47 163.04 24.97 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.555 1.542 . . . . 0.0 111.651 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.95 138.41 46.36 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.433 1.093 . . . . 0.0 110.33 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.13 110.02 31.25 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.621 1.169 . . . . 0.0 109.45 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.82 128.34 11.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.353 2.702 . . . . 0.0 110.803 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.41 140.66 48.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.429 1.492 . . . . 0.0 110.955 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.91 159.82 22.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.191 -0.943 . . . . 0.0 111.531 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.42 -19.88 57.74 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 113.68 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.83 -12.44 60.68 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.984 1.314 . . . . 0.0 113.48 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.5 174.37 6.59 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.144 2.178 . . . . 0.0 112.736 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.59 164.19 28.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.052 1.741 . . . . 0.0 111.696 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.35 110.05 28.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 127.651 2.38 . . . . 0.0 111.066 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.48 151.64 53.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.703 2.935 . . . . 0.0 111.093 166.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.91 15.79 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.755 1.645 . . . . 0.0 115.323 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.94 41.04 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 112.724 171.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -157.13 147.98 21.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.316 1.446 . . . . 0.0 111.839 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 125.93 28.18 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.858 -1.151 . . . . 0.0 111.632 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.02 161.04 16.8 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.44 1.096 . . . . 0.0 112.187 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -64.09 -16.79 62.53 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -65.1 -17.12 64.2 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.979 1.312 . . . . 0.0 113.099 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.06 62.59 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.195 1.378 . . . . 0.0 113.484 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.6 tpp -114.87 147.02 40.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 111.555 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.58 110.13 3.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.008 0.923 . . . . 0.0 110.549 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.5 148.65 20.68 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.779 1.18 . . . . 0.0 112.971 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.5 m -109.55 138.18 46.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 112.037 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.04 124.52 18.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.647 1.579 . . . . 0.0 114.75 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 156.14 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 127.763 2.425 . . . . 0.0 109.258 166.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.42 110.98 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.815 -1.178 . . . . 0.0 113.295 -170.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.85 -7.25 62.95 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.376 1.465 . . . . 0.0 114.753 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.65 20.0 3.67 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.596 1.558 . . . . 0.0 113.734 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.46 158.29 88.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.813 1.645 . . . . 0.0 112.581 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -76.47 -14.46 26.42 Favored 'Cis proline' 0 C--N 1.356 0.969 0 N-CA-C 116.557 1.714 . . . . 0.0 116.557 7.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -125.68 66.31 55.77 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.575 1.55 . . . . 0.0 112.427 -170.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -65.67 141.74 67.56 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.361 2.708 . . . . 0.0 113.615 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -77.18 143.08 39.31 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.732 1.213 . . . . 0.0 111.717 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -85.45 64.15 8.48 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.185 0.994 . . . . 0.0 112.449 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.88 29.9 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.079 1.352 . . . . 0.0 112.392 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -136.04 133.71 19.89 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 126.788 2.035 . . . . 0.0 109.955 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.2 154.32 63.81 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 122.952 2.435 . . . . 0.0 114.422 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -71.47 138.36 52.71 Favored 'Cis proline' 0 CA--C 1.54 0.801 0 CA-C-N 119.106 0.717 . . . . 0.0 112.767 -4.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.543 -1.218 . . . . 0.0 112.079 -176.586 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.336 0.113 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.3 ttt -121.42 11.33 10.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.906 1.683 . . . . 0.0 112.96 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.32 65.02 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -170.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -88.08 -11.94 45.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -143.12 167.13 22.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -166.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.32 0.3 OUTLIER 59.43 170.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 128.383 2.673 . . . . 0.0 114.398 -171.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.54 166.49 12.57 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.851 1.661 . . . . 0.0 113.841 -175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mmt-85 -133.11 157.02 46.34 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.516 1.926 . . . . 0.0 111.282 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.93 173.08 45.56 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.294 0.949 . . . . 0.0 113.75 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -63.51 -16.86 61.91 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -85.12 20.78 1.82 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.903 1.681 . . . . 0.0 113.94 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.2 -6.52 18.4 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 -177.91 53.11 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.054 1.312 . . . . 0.0 115.594 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.1 157.53 27.95 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.88 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.3 138.54 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.207 1.003 . . . . 0.0 111.277 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -123.89 149.41 45.87 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.701 1.6 . . . . 0.0 111.487 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -123.42 -12.1 7.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 119.593 3.182 . . . . 0.0 119.593 -165.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -54.01 -45.16 71.43 Favored 'General case' 0 N--CA 1.477 0.887 1 C-N-CA 132.683 4.393 . . . . 0.0 112.537 -12.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 p -143.3 154.87 44.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.378 2.271 . . . . 0.0 111.253 165.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -147.75 164.85 32.31 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.336 1.454 . . . . 0.0 111.421 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -61.51 146.15 49.58 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.211 1.004 . . . . 0.0 112.586 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -146.19 -68.84 0.27 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.816 1.646 . . . . 0.0 110.094 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -78.31 163.23 25.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.182 0.993 . . . . 0.0 108.945 144.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.75 -178.8 6.96 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.605 1.162 . . . . 0.0 113.549 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.27 70.02 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.624 1.569 . . . . 0.0 109.747 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.93 160.92 32.74 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 128.45 2.7 . . . . 0.0 110.273 -167.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.34 133.24 56.97 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.9 3.066 . . . . 0.0 113.17 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -141.14 169.52 17.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.471 1.909 . . . . 0.0 114.412 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.58 103.66 6.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.944 2.498 . . . . 0.0 109.289 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.06 110.01 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 160.04 14.58 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.983 0.913 . . . . 0.0 110.122 163.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -113.8 155.58 25.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.375 1.07 . . . . 0.0 110.268 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -142.79 141.43 31.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.82 0.848 . . . . 0.0 111.537 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -106.93 123.67 48.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.185 1.794 . . . . 0.0 111.414 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -77.58 178.21 7.45 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.298 1.439 . . . . 0.0 111.653 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.16 -15.96 61.97 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -91.34 3.53 54.68 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.233 0.924 . . . . 0.0 112.889 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 5.35 89.49 Favored Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.153 1.359 . . . . 0.0 114.62 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.83 120.14 19.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.486 1.143 . . . . 0.0 108.766 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.43 132.74 48.26 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.578 0.704 . . . . 0.0 111.94 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -126.85 163.17 24.21 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.985 1.714 . . . . 0.0 111.426 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.94 134.26 52.29 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.071 1.348 . . . . 0.0 110.158 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.27 110.03 34.63 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 124.554 1.142 . . . . 0.0 109.65 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.5 119.94 4.27 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.318 2.679 . . . . 0.0 111.293 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.75 142.76 33.35 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.931 1.692 . . . . 0.0 111.367 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.2 26.6 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.272 -0.893 . . . . 0.0 111.46 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.69 -19.99 53.35 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.83 -12.03 60.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.037 1.335 . . . . 0.0 113.474 172.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.95 173.51 7.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.991 2.117 . . . . 0.0 112.92 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.03 166.15 23.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.11 1.764 . . . . 0.0 111.602 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -89.04 110.03 35.09 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.221 2.209 . . . . 0.0 110.115 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.22 151.46 54.81 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.683 2.922 . . . . 0.0 110.816 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.89 15.58 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.634 1.587 . . . . 0.0 115.184 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.94 159.56 41.9 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.203 1.001 . . . . 0.0 112.494 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.9 148.01 21.98 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.362 1.465 . . . . 0.0 111.92 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 125.41 26.69 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.891 -1.13 . . . . 0.0 111.487 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.66 163.12 14.22 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.52 1.128 . . . . 0.0 112.5 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -68.38 -11.7 60.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.65 -17.14 64.04 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.626 1.17 . . . . 0.0 112.846 168.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 12.85 61.51 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.264 1.411 . . . . 0.0 113.582 -173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.1 tpp -114.22 147.18 39.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.46 1.504 . . . . 0.0 111.546 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.34 110.06 3.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 110.45 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.01 148.87 21.13 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.407 1.003 . . . . 0.0 112.851 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 m -108.41 138.01 45.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.984 0.914 . . . . 0.0 111.888 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.06 122.33 14.11 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.997 1.719 . . . . 0.0 111.682 -171.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.67 156.01 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.7 1.6 . . . . 0.0 111.607 171.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -76.53 141.38 41.22 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.453 0.701 . . . . 0.0 111.618 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.52 -20.1 76.83 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t0 65.7 154.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.034 2.534 . . . . 0.0 116.21 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.72 161.32 67.32 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.259 2.223 . . . . 0.0 111.884 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.43 -22.17 16.29 Favored 'Cis proline' 0 C--N 1.353 0.806 0 N-CA-C 116.464 1.678 . . . . 0.0 116.464 12.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -127.4 69.56 74.98 Favored Pre-proline 0 N--CA 1.477 0.922 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -167.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -69.38 148.44 67.52 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.503 2.135 . . . . 0.0 110.917 163.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -144.29 135.75 25.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.797 1.239 . . . . 0.0 112.225 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt 40.22 39.86 0.72 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.557 2.343 . . . . 0.0 114.998 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.8 165.4 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.794 1.238 . . . . 0.0 113.024 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -58.93 158.55 16.32 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.57 1.148 . . . . 0.0 112.004 167.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.26 163.21 15.15 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.404 2.736 . . . . 0.0 112.941 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -67.57 158.11 84.14 Favored 'Cis proline' 0 CA--C 1.539 0.77 0 CA-C-N 119.744 0.944 . . . . 0.0 114.104 -3.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.408 1.483 . . . . 0.0 113.076 177.338 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 111.283 0.105 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.3 ttt -71.38 -32.86 68.95 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.994 2.517 . . . . 0.0 112.781 -0.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.49 159.32 19.34 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.84 1.256 . . . . 0.0 111.534 167.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.5 155.88 21.03 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 128.77 2.828 . . . . 0.0 113.615 -5.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -71.42 167.76 18.91 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 130.031 3.332 . . . . 0.0 113.561 -7.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -82.78 165.69 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.866 1.266 . . . . 0.0 111.644 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt 54.07 46.44 25.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.418 1.887 . . . . 0.0 113.808 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -79.91 53.58 1.7 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.91 1.684 . . . . 0.0 111.213 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.45 -19.89 5.49 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.171 1.367 . . . . 0.0 113.564 -161.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -60.23 130.72 48.06 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.546 1.173 . . . . 0.0 111.116 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 51.83 22.81 1.83 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.949 1.7 . . . . 0.0 114.901 -174.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -138.88 -36.08 0.56 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.043 1.337 . . . . 0.0 113.465 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.35 -171.06 47.07 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.214 0.911 . . . . 0.0 113.128 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 132.86 42.47 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.937 -0.743 . . . . 0.0 111.34 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.1 m -136.44 148.9 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.765 1.626 . . . . 0.0 111.83 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -143.13 141.64 31.26 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.34 1.456 . . . . 0.0 111.546 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -153.51 149.07 27.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.38 1.472 . . . . 0.0 111.438 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.42 57.05 4.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.726 1.21 . . . . 0.0 111.491 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m 54.23 34.86 21.27 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.749 1.619 . . . . 0.0 112.996 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.71 133.79 46.92 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.975 1.31 . . . . 0.0 112.203 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -18.04 39.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.586 1.554 . . . . 0.0 113.325 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.65 147.75 52.84 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.817 0.847 . . . . 0.0 112.412 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -139.58 161.92 36.34 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.421 1.488 . . . . 0.0 111.963 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -67.53 156.58 36.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.655 1.182 . . . . 0.0 113.464 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.07 153.43 47.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.195 1.798 . . . . 0.0 110.559 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.77 154.06 74.4 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.157 1.383 . . . . 0.0 112.03 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -78.27 69.98 7.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.372 3.382 . . . . 0.0 112.069 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -141.03 164.54 30.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.598 1.559 . . . . 0.0 114.6 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.4 102.02 5.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.194 2.597 . . . . 0.0 109.596 -173.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.02 108.2 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 121.243 -0.911 . . . . 0.0 108.554 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.88 165.14 12.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.765 1.226 . . . . 0.0 111.321 168.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -114.95 149.35 37.44 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.228 1.411 . . . . 0.0 111.001 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.12 142.98 38.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.033 0.933 . . . . 0.0 111.341 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -109.22 125.03 51.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.487 1.915 . . . . 0.0 111.009 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.9 p -77.24 176.27 8.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.789 1.235 . . . . 0.0 111.277 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.3 -11.74 59.94 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.353 -0.842 . . . . 0.0 112.488 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.86 11.4 33.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.052 1.741 . . . . 0.0 111.61 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.61 -0.24 89.46 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 126.441 1.972 . . . . 0.0 114.945 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.39 120.12 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.457 0.703 . . . . 0.0 109.912 -167.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -102.43 130.84 49.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.521 0.677 . . . . 0.0 111.571 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -126.94 162.51 25.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.855 1.662 . . . . 0.0 111.401 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.0 136.39 49.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 111.283 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.0 110.05 24.61 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.01 1.324 . . . . 0.0 111.087 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.45 125.45 10.16 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.066 3.178 . . . . 0.0 112.056 168.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -108.42 141.84 39.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.532 1.933 . . . . 0.0 111.263 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.9 23.74 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.349 -0.845 . . . . 0.0 110.92 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.16 -19.99 56.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.434 1.094 . . . . 0.0 113.627 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.96 -13.35 61.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.933 1.293 . . . . 0.0 113.23 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.19 20.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.984 2.114 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 139.96 50.11 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.942 1.297 . . . . 0.0 111.06 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -55.68 110.15 2.08 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 127.737 2.415 . . . . 0.0 111.752 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.08 150.26 53.84 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.27 2.646 . . . . 0.0 110.786 168.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.13 -29.84 15.92 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.622 1.582 . . . . 0.0 115.096 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -139.99 159.98 40.95 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.066 0.933 . . . . 0.0 112.841 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -156.88 148.02 22.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.183 1.393 . . . . 0.0 112.402 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.94 125.8 27.83 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.763 -1.211 . . . . 0.0 111.791 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.6 m -95.07 164.02 13.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.699 1.199 . . . . 0.0 113.081 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -68.89 -13.88 62.69 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.87 -17.22 63.95 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 118.812 0.733 . . . . 0.0 112.511 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.92 14.66 54.58 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.544 1.545 . . . . 0.0 113.901 -177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.8 tpt -113.98 145.53 41.41 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.736 1.614 . . . . 0.0 111.262 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.57 110.03 1.03 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.163 0.985 . . . . 0.0 110.315 169.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.68 147.73 21.41 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.425 1.012 . . . . 0.0 112.135 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.9 m -105.24 140.4 38.45 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.834 -0.804 . . . . 0.0 111.304 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.65 122.67 14.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.032 1.333 . . . . 0.0 112.313 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.6 155.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.38 1.472 . . . . 0.0 112.51 178.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.01 144.59 34.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.761 0.824 . . . . 0.0 111.382 169.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.17 -37.7 0.2 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 113.079 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -147.66 125.24 11.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.454 1.502 . . . . 0.0 109.386 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 mp -118.67 152.29 51.11 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.712 1.605 . . . . 0.0 111.164 -172.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -80.56 38.28 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.595 3.53 . . . . 0.0 112.667 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 37.45 59.89 4.17 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 127.942 2.497 . . . . 0.0 114.309 -170.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -63.61 138.23 63.5 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.06 2.507 . . . . 0.0 110.507 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 44.8 27.62 0.28 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.661 1.985 . . . . 0.0 115.334 -168.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? 49.21 39.8 16.43 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.546 1.938 . . . . 0.0 112.631 -168.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t 52.1 29.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 128.055 2.542 . . . . 0.0 114.108 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -67.08 158.96 79.43 Favored Pre-proline 0 N--CA 1.479 1.003 0 O-C-N 120.903 -1.123 . . . . 0.0 112.577 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -64.07 162.27 60.22 Favored 'Cis proline' 0 CA--C 1.544 1.004 0 CA-C-N 120.392 1.176 . . . . 0.0 115.131 1.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.01 151.03 44.07 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 124.121 3.214 . . . . 0.0 114.446 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.563 1.545 . . . . 0.0 112.474 -166.83 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 148.4 50.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.005 0.922 . . . . 0.0 113.012 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.17 22.89 3.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.227 1.811 . . . . 0.0 115.77 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -74.45 92.66 2.36 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.832 1.253 . . . . 0.0 111.45 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -138.92 159.68 41.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.361 1.864 . . . . 0.0 111.448 -172.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t -83.38 59.92 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.809 1.244 . . . . 0.0 110.795 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.9 mt 57.24 9.58 0.73 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.733 2.413 . . . . 0.0 116.315 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -151.56 145.17 24.95 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.198 1.799 . . . . 0.0 110.973 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.88 32.23 0.07 OUTLIER Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.414 0.925 . . . . 0.0 115.414 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 t -61.48 -27.92 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.7 mtm-85 -75.79 -10.64 59.6 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.902 1.281 . . . . 0.0 114.416 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt 62.73 127.9 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.537 2.735 . . . . 0.0 114.123 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.9 144.47 21.1 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.49 1.043 . . . . 0.0 113.732 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.04 -171.79 0.07 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.311 1.845 . . . . 0.0 114.797 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.6 155.98 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.357 1.863 . . . . 0.0 111.81 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -117.39 15.23 14.77 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.443 1.497 . . . . 0.0 112.837 -177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -155.94 159.28 39.11 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.57 1.948 . . . . 0.0 111.427 -166.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.64 109.78 0.99 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.7 1.2 . . . . 0.0 112.07 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 119.65 22.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.123 1.369 . . . . 0.0 110.712 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.74 143.26 57.98 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -91.59 6.46 45.62 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.715 3.606 . . . . 0.0 114.097 4.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -75.16 172.95 11.48 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.93 1.292 . . . . 0.0 111.622 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.0 m80 60.74 -177.53 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.18 2.192 . . . . 0.0 114.243 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.96 146.26 44.04 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.234 -0.917 . . . . 0.0 110.752 164.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -138.43 138.34 38.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.185 1.394 . . . . 0.0 110.949 -174.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.6 162.83 30.41 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.368 1.467 . . . . 0.0 112.055 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.91 146.84 88.73 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.522 2.814 . . . . 0.0 110.648 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -141.09 166.9 23.51 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -169.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.05 116.61 14.81 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.523 2.729 . . . . 0.0 108.71 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.04 110.0 21.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.18 -0.95 . . . . 0.0 108.523 177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.85 161.57 13.8 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.52 0.728 . . . . 0.0 110.093 165.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -123.46 151.69 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.661 1.184 . . . . 0.0 110.125 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -138.7 137.76 37.11 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.615 0.766 . . . . 0.0 112.273 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -104.13 123.12 46.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.692 1.597 . . . . 0.0 111.395 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -77.5 178.38 7.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.38 1.472 . . . . 0.0 111.898 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.77 -16.21 61.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -91.17 3.11 55.64 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.146 0.884 . . . . 0.0 112.815 171.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.93 88.61 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.074 1.321 . . . . 0.0 114.778 -169.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.79 120.01 19.76 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.58 1.19 . . . . 0.0 108.643 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -102.44 131.72 48.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.71 -0.619 . . . . 0.0 112.132 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -127.93 162.46 26.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.88 1.672 . . . . 0.0 111.471 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -109.89 137.94 46.97 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.367 1.467 . . . . 0.0 110.904 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.98 109.03 18.25 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.817 1.247 . . . . 0.0 110.141 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -71.08 130.0 17.06 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.081 3.188 . . . . 0.0 111.38 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -114.5 145.23 42.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.456 1.902 . . . . 0.0 110.969 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 155.58 20.52 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 111.28 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -19.87 58.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.424 1.09 . . . . 0.0 113.771 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -10.64 59.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.28 174.99 5.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.838 2.055 . . . . 0.0 112.179 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.21 160.08 38.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.355 1.462 . . . . 0.0 110.704 170.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.69 110.06 24.73 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 127.643 2.377 . . . . 0.0 110.269 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.31 151.77 60.49 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.367 2.711 . . . . 0.0 110.778 167.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.88 14.95 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.509 1.528 . . . . 0.0 115.071 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.2 p -139.97 158.71 43.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.029 0.915 . . . . 0.0 112.926 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -156.61 148.15 22.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.472 1.509 . . . . 0.0 111.866 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 126.94 31.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 111.511 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.53 165.4 13.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.552 1.141 . . . . 0.0 112.777 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -68.78 -13.61 62.51 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -69.7 -17.15 63.45 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 113.157 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.09 61.16 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.895 1.236 . . . . 0.0 113.657 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -112.69 147.74 36.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.372 1.469 . . . . 0.0 111.501 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.54 110.04 2.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.255 1.022 . . . . 0.0 110.353 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.1 148.85 19.98 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.582 1.087 . . . . 0.0 113.206 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 m -109.57 137.71 47.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.898 0.879 . . . . 0.0 112.04 175.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.72 124.22 17.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.843 1.657 . . . . 0.0 115.358 -172.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.51 156.1 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 109.785 165.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.05 112.59 1.74 Allowed 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.829 -1.169 . . . . 0.0 112.716 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.8 -70.13 1.23 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.484 1.04 . . . . 0.0 111.699 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -140.05 19.94 2.45 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.301 1.441 . . . . 0.0 112.294 175.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.21 103.98 18.15 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.013 1.725 . . . . 0.0 110.148 -172.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -86.92 -40.66 0.06 OUTLIER 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.936 2.424 . . . . 0.0 112.582 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.81 60.79 11.79 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.408 1.483 . . . . 0.0 114.043 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -56.88 129.42 34.48 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.183 1.922 . . . . 0.0 111.445 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -151.61 11.76 0.6 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.83 148.61 38.72 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -68.45 156.48 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.445 1.098 . . . . 0.0 112.039 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.78 131.84 95.27 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.07 0.948 . . . . 0.0 111.266 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -71.85 159.25 51.06 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.211 2.607 . . . . 0.0 112.605 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.82 -7.56 15.55 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 123.845 3.03 . . . . 0.0 114.679 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.876 1.671 . . . . 0.0 114.189 -177.648 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.4 mtt -133.76 149.69 51.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.586 1.554 . . . . 0.0 111.306 173.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.92 -41.7 35.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.789 2.036 . . . . 0.0 112.743 -3.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 49.06 27.6 1.77 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.785 1.634 . . . . 0.0 115.043 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 58.4 20.36 7.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.944 2.098 . . . . 0.0 115.335 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 m -129.98 164.56 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.552 1.941 . . . . 0.0 112.694 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.1 mt 60.79 176.68 0.1 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.863 2.065 . . . . 0.0 114.556 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 51.27 42.48 29.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.304 1.842 . . . . 0.0 114.122 174.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.38 170.95 37.64 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.758 1.171 . . . . 0.0 114.287 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -78.04 49.13 0.77 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.91 1.684 . . . . 0.0 114.115 -172.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -65.89 -27.93 68.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.572 1.549 . . . . 0.0 113.092 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 tp -138.44 141.62 39.52 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.357 1.863 . . . . 0.0 110.153 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.58 149.62 45.39 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 123.933 0.778 . . . . 0.0 113.994 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.13 41.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.379 1.472 . . . . 0.0 111.461 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 t -83.57 59.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.912 1.285 . . . . 0.0 110.57 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 t -90.44 -44.59 9.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.841 1.256 . . . . 0.0 112.647 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.256 39.9 p90 50.08 174.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.364 3.065 . . . . 0.0 116.884 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.8 104.51 14.82 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.751 -1.218 . . . . 0.0 110.738 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -66.55 128.47 36.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.812 0.845 . . . . 0.0 110.036 170.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -74.38 112.38 10.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.201 0.6 . . . . 0.0 111.252 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -76.48 -6.49 52.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.037 1.335 . . . . 0.0 114.384 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.68 29.16 6.03 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.877 2.071 . . . . 0.0 111.733 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -72.8 -43.84 62.25 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.39 162.38 27.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.039 1.335 . . . . 0.0 113.163 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.3 mt -81.45 69.87 8.19 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.618 1.199 . . . . 0.0 112.315 -174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.73 77.85 9.28 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.299 2.239 . . . . 0.0 108.716 166.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.98 120.99 9.24 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.636 3.557 . . . . 0.0 113.432 -168.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 ptt-85 -141.11 168.52 19.59 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.78 110.46 11.76 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 129.16 2.984 . . . . 0.0 108.144 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.12 106.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 160.97 14.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.073 0.949 . . . . 0.0 111.139 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -115.43 150.34 36.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.333 1.453 . . . . 0.0 111.016 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -141.86 143.72 33.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.433 1.093 . . . . 0.0 111.678 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -110.07 124.98 52.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.54 1.936 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -79.63 178.4 8.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.197 1.399 . . . . 0.0 111.826 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.3 -16.1 61.9 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.28 2.54 56.3 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.146 0.885 . . . . 0.0 112.769 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.64 9.99 85.74 Favored Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.961 1.267 . . . . 0.0 114.59 -168.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.72 119.99 20.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.178 1.489 . . . . 0.0 108.752 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -102.48 130.27 49.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.773 0.829 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.99 164.1 23.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.564 1.546 . . . . 0.0 112.254 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.99 138.79 45.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.224 1.009 . . . . 0.0 111.786 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.01 110.0 24.59 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.794 1.637 . . . . 0.0 110.425 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -69.09 130.02 19.4 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.346 3.364 . . . . 0.0 112.233 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.62 142.2 47.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.321 1.848 . . . . 0.0 111.353 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.96 21.94 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.104 -0.998 . . . . 0.0 111.403 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.72 -19.98 60.12 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.209 1.004 . . . . 0.0 113.573 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.74 -12.68 60.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.003 1.321 . . . . 0.0 113.397 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.05 174.36 6.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.263 2.225 . . . . 0.0 112.735 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.49 165.14 25.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.202 1.801 . . . . 0.0 111.22 171.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.2 109.96 29.58 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 126.968 2.107 . . . . 0.0 109.732 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.03 153.97 71.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.618 2.878 . . . . 0.0 110.881 168.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.9 15.81 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.619 1.104 . . . . 0.0 115.02 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -142.47 159.89 41.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.207 1.004 . . . . 0.0 112.78 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -156.97 148.06 21.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.203 1.401 . . . . 0.0 112.262 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.15 123.99 22.59 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.952 -1.093 . . . . 0.0 111.538 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.9 m -92.26 166.46 12.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.669 1.188 . . . . 0.0 112.838 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -67.3 -15.67 63.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.067 . . . . 0.0 113.818 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.17 -17.12 63.77 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.076 1.35 . . . . 0.0 113.336 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 12.97 61.25 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.783 1.183 . . . . 0.0 113.617 -173.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -114.66 148.41 38.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.779 1.632 . . . . 0.0 111.24 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.25 109.96 3.31 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.894 0.878 . . . . 0.0 110.465 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.74 147.87 21.45 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.327 0.965 . . . . 0.0 112.605 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -106.71 137.82 44.04 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.985 0.914 . . . . 0.0 111.574 173.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.11 122.72 15.1 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.414 1.486 . . . . 0.0 110.791 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.41 151.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -87.92 128.5 35.37 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.11 0.964 . . . . 0.0 111.858 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.51 62.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.616 0 C-N-CA 125.292 1.425 . . . . 0.0 110.095 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -138.18 151.31 47.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.852 2.061 . . . . 0.0 109.027 -162.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.01 133.85 39.5 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 125.988 1.715 . . . . 0.0 111.172 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -81.4 8.28 38.16 Favored 'Cis proline' 0 CA--C 1.547 1.17 0 N-CA-C 117.135 1.936 . . . . 0.0 117.135 9.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.44 60.68 54.21 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -81.27 59.83 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 123.539 2.826 . . . . 0.0 111.227 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -139.78 4.89 2.14 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.849 1.66 . . . . 0.0 115.21 -166.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -84.56 39.92 0.76 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.367 1.467 . . . . 0.0 114.038 -161.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -143.28 120.76 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.128 2.171 . . . . 0.0 108.327 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -138.78 87.83 14.36 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 125.348 1.459 . . . . 0.0 110.143 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -51.66 136.35 49.77 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.768 2.979 . . . . 0.0 113.59 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -76.09 1.43 19.81 Favored 'Cis proline' 0 CA--C 1.545 1.036 0 N-CA-C 117.435 2.052 . . . . 0.0 117.435 9.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.677 1.591 . . . . 0.0 111.055 171.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 p . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -72.65 151.62 42.17 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.332 1.053 . . . . 0.0 112.261 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.2 152.62 44.04 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.846 0.858 . . . . 0.0 112.532 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -75.64 93.01 3.0 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.571 1.148 . . . . 0.0 111.556 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -141.09 166.29 25.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.317 1.847 . . . . 0.0 112.012 -173.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.99 142.61 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.212 1.405 . . . . 0.0 110.536 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -90.2 -15.2 31.91 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -170.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.74 154.92 38.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.937 1.695 . . . . 0.0 111.075 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.83 -154.7 50.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 123.663 0.649 . . . . 0.0 112.362 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.2 t -146.78 144.23 29.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.131 0.972 . . . . 0.0 111.697 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -73.7 -15.77 61.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.427 1.091 . . . . 0.0 113.885 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -87.41 5.79 37.0 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.758 1.223 . . . . 0.0 113.62 166.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.27 136.85 9.21 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 126.357 1.932 . . . . 0.0 113.62 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.23 150.58 32.83 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.928 1.691 . . . . 0.0 110.283 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.43 134.15 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.494 1.118 . . . . 0.0 112.095 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -66.38 171.24 5.06 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.104 2.562 . . . . 0.0 112.693 -10.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.76 132.58 54.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -152.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -131.7 1.52 4.03 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.415 1.886 . . . . 0.0 112.523 169.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -125.58 21.12 7.82 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.24 2.216 . . . . 0.0 113.469 -171.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.06 151.98 43.98 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.254 1.022 . . . . 0.0 112.65 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 143.12 53.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.032 1.333 . . . . 0.0 112.21 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -66.48 -41.85 88.36 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -170.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -147.77 145.29 28.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.579 1.551 . . . . 0.0 110.796 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.57 156.54 29.12 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -139.62 134.28 31.86 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.287 1.835 . . . . 0.0 109.132 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.85 73.94 0.88 Allowed Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 125.893 1.677 . . . . 0.0 113.689 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.54 172.45 6.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.996 3.131 . . . . 0.0 114.174 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.92 166.65 24.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 0.0 114.558 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.44 117.07 16.77 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 128.531 2.732 . . . . 0.0 109.026 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.9 mm -92.72 106.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 124.514 1.126 . . . . 0.0 109.062 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 160.16 14.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.804 0.841 . . . . 0.0 110.97 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -112.08 151.91 28.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.682 1.193 . . . . 0.0 110.614 169.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -140.88 141.75 34.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.255 1.022 . . . . 0.0 111.332 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -108.56 124.67 50.82 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.637 1.975 . . . . 0.0 111.019 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 p -79.65 178.39 8.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.989 1.316 . . . . 0.0 111.41 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.66 -16.37 61.7 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -89.36 1.85 55.22 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.157 0.89 . . . . 0.0 112.669 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.18 7.79 88.04 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 125.14 1.352 . . . . 0.0 114.779 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.61 120.03 18.65 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.668 1.234 . . . . 0.0 108.536 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.5 132.5 48.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.533 0.682 . . . . 0.0 112.05 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.85 163.36 23.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.712 1.605 . . . . 0.0 111.464 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 133.9 52.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.843 1.257 . . . . 0.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.07 110.09 38.44 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 124.756 1.222 . . . . 0.0 109.955 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.19 129.95 14.68 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.358 2.705 . . . . 0.0 111.278 171.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -119.56 140.81 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.771 1.628 . . . . 0.0 111.402 174.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.54 159.41 24.13 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.316 -0.865 . . . . 0.0 111.376 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.89 -19.95 54.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.925 1.29 . . . . 0.0 113.67 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.98 -13.48 61.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.918 1.287 . . . . 0.0 113.478 171.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.71 160.91 22.35 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.675 1.99 . . . . 0.0 112.557 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -131.5 141.69 49.8 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.044 1.338 . . . . 0.0 111.116 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.8 110.14 2.3 Favored Pre-proline 0 N--CA 1.472 0.625 0 C-N-CA 127.934 2.494 . . . . 0.0 111.407 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.86 149.9 54.57 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.288 2.659 . . . . 0.0 110.605 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.31 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.515 1.531 . . . . 0.0 115.307 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.07 159.72 41.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.159 0.979 . . . . 0.0 112.413 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -157.93 148.13 20.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.52 1.528 . . . . 0.0 111.872 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 125.94 28.22 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.969 -1.082 . . . . 0.0 111.951 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.0 m -92.02 162.97 14.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.66 1.184 . . . . 0.0 112.687 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.43 -14.58 63.06 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.41 -17.1 64.58 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.106 0.962 . . . . 0.0 112.83 169.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 12.89 60.23 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.304 1.43 . . . . 0.0 113.689 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -113.73 147.99 37.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.977 1.311 . . . . 0.0 111.321 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.04 109.96 2.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.313 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.65 149.14 23.22 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.47 1.033 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.1 m -107.05 138.62 42.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.961 0.904 . . . . 0.0 111.318 173.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.07 121.73 12.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.585 1.554 . . . . 0.0 110.669 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.06 154.24 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.472 1.509 . . . . 0.0 112.225 176.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.25 148.2 45.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.121 0.568 . . . . 0.0 110.853 166.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.49 -13.93 63.79 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.0 t70 63.44 133.17 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.64 2.776 . . . . 0.0 116.271 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -130.03 148.59 70.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.983 1.713 . . . . 0.0 110.83 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -79.89 40.61 0.98 Allowed 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 124.609 3.539 . . . . 0.0 112.616 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 37.48 59.92 4.2 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.785 2.434 . . . . 0.0 112.788 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -34.37 104.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.558 4.172 . . . . 0.0 117.082 -152.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -153.0 173.58 15.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.732 2.813 . . . . 0.0 111.045 -168.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -60.18 132.97 55.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.726 0.811 . . . . 0.0 110.329 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.58 129.09 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.723 0.809 . . . . 0.0 112.005 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -143.75 100.87 5.04 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 126.204 1.802 . . . . 0.0 108.938 171.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -64.37 153.09 78.74 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 123.014 2.476 . . . . 0.0 114.021 -174.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.25 158.19 98.92 Favored 'Cis proline' 0 CA--C 1.543 0.968 0 CA-C-N 119.119 0.721 . . . . 0.0 112.862 -5.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 124.567 1.147 . . . . 0.0 113.586 179.789 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -139.56 24.39 2.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.757 1.223 . . . . 0.0 113.976 -178.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.93 20.49 0.25 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.974 1.309 . . . . 0.0 114.385 -176.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.33 150.69 25.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.841 1.657 . . . . 0.0 112.856 -177.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.65 32.4 6.15 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.075 1.35 . . . . 0.0 113.991 -169.098 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t 57.64 52.04 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 126.082 1.753 . . . . 0.0 110.225 -166.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.4 141.18 28.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.479 1.112 . . . . 0.0 111.852 -175.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.06 137.91 56.77 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.466 2.706 . . . . 0.0 111.167 -6.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.99 145.22 49.23 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 123.766 0.698 . . . . 0.0 114.124 -171.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 m -56.79 138.74 52.76 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.082 1.753 . . . . 0.0 112.839 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -155.61 164.93 37.99 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.891 1.276 . . . . 0.0 113.817 -173.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt 61.43 152.86 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.262 3.025 . . . . 0.0 115.897 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -165.06 27.55 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.672 1.606 . . . . 0.0 113.861 177.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 54.12 31.42 13.84 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.096 1.758 . . . . 0.0 115.516 175.003 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.52 139.02 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.496 1.119 . . . . 0.0 111.586 178.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -80.46 -6.27 57.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -165.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -144.36 12.61 1.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.887 1.675 . . . . 0.0 113.937 -167.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.31 11.3 pt-20 51.78 31.81 8.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.855 2.462 . . . . 0.0 117.329 172.223 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.7 p -131.98 162.52 30.5 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.643 1.177 . . . . 0.0 112.026 168.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.27 142.08 33.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.466 1.107 . . . . 0.0 109.999 170.043 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 43.92 27.27 0.18 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 127.597 2.359 . . . . 0.0 116.005 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.9 t30 55.61 26.59 9.37 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.921 2.088 . . . . 0.0 114.744 -170.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -132.99 59.11 1.74 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.564 1.945 . . . . 0.0 111.379 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.32 -169.86 0.13 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.057 1.343 . . . . 0.0 114.17 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.91 146.59 28.8 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.89 -1.131 . . . . 0.0 109.632 166.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 49.98 60.04 15.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.95 70.0 6.07 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 124.157 3.238 . . . . 0.0 112.143 -177.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.9 ptp85 -141.06 164.93 28.94 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.086 1.754 . . . . 0.0 113.902 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.54 102.67 5.59 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 127.752 2.421 . . . . 0.0 109.723 -171.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.55 109.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 123.973 0.909 . . . . 0.0 108.659 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.27 15.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.22 1.008 . . . . 0.0 110.878 163.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -110.35 150.91 28.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.551 1.14 . . . . 0.0 110.322 169.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.12 139.64 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 110.933 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.93 124.02 49.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.92 1.688 . . . . 0.0 110.875 -177.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -76.98 177.63 7.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.892 1.277 . . . . 0.0 111.318 178.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.38 -16.03 61.35 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -88.66 1.64 54.69 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.183 0.901 . . . . 0.0 112.837 171.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.47 4.98 88.99 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.145 1.355 . . . . 0.0 114.68 -168.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.85 120.03 17.91 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.575 1.188 . . . . 0.0 108.728 -178.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.44 132.94 48.14 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.524 0.678 . . . . 0.0 111.915 -179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.88 160.46 31.75 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.523 1.529 . . . . 0.0 111.556 177.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -109.88 133.09 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.869 1.267 . . . . 0.0 110.918 -177.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.56 110.02 34.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 124.408 1.083 . . . . 0.0 109.88 178.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.41 118.46 3.93 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.374 2.716 . . . . 0.0 111.053 172.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -98.98 143.2 29.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.559 1.944 . . . . 0.0 111.438 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 157.11 26.92 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.375 -0.828 . . . . 0.0 110.972 174.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.04 -20.01 55.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.432 1.093 . . . . 0.0 113.67 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.87 -11.38 60.12 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.525 1.13 . . . . 0.0 113.311 173.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.41 161.97 18.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.738 2.015 . . . . 0.0 112.459 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.91 138.98 48.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.805 1.242 . . . . 0.0 111.357 174.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.61 110.16 2.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 127.637 2.375 . . . . 0.0 111.877 -173.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.37 153.21 66.28 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.388 2.725 . . . . 0.0 111.193 168.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.3 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.847 1.213 . . . . 0.0 115.238 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.3 p -142.72 160.11 40.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.337 1.068 . . . . 0.0 113.171 174.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -157.32 148.09 21.39 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.293 1.437 . . . . 0.0 112.246 -178.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 126.89 31.03 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.893 -1.129 . . . . 0.0 111.846 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.0 m -92.75 162.89 13.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.532 1.133 . . . . 0.0 112.578 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -67.35 -15.23 63.57 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -177.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.26 -17.14 64.67 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.141 0.976 . . . . 0.0 112.765 169.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.85 60.71 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.553 1.549 . . . . 0.0 113.63 -175.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.7 tpt -112.18 147.64 35.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.007 1.323 . . . . 0.0 111.397 177.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.14 110.01 2.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.981 0.913 . . . . 0.0 110.965 172.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.4 147.84 20.94 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.475 1.036 . . . . 0.0 112.533 176.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.0 m -107.08 139.8 40.91 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.8 -0.823 . . . . 0.0 111.686 173.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.0 tp -58.29 122.33 12.95 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.634 -176.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.5 156.04 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 126.119 1.768 . . . . 0.0 112.154 177.199 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.79 132.59 35.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.254 0.622 . . . . 0.0 109.538 159.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.12 -50.8 8.12 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.886 -0.509 . . . . 0.0 114.162 -171.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 50.02 31.65 5.02 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.4 1.88 . . . . 0.0 114.877 -178.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.4 mt -76.95 149.6 80.29 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.361 1.064 . . . . 0.0 112.458 -176.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -80.28 46.16 2.17 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 124.795 3.664 . . . . 0.0 112.475 179.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 40.46 59.98 7.39 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 127.71 2.404 . . . . 0.0 114.477 -174.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.17 162.04 43.88 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.826 3.018 . . . . 0.0 112.948 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -140.94 178.08 7.61 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 112.047 176.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.3 126.26 26.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 169.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.18 30.01 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.719 2.007 . . . . 0.0 111.587 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -58.79 148.37 68.62 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -169.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -82.45 154.57 76.51 Favored 'Cis proline' 0 CA--C 1.549 1.257 0 O-C-N 122.177 0.567 . . . . 0.0 113.135 -3.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -98.36 -17.16 6.47 Favored 'Cis proline' 0 CA--C 1.547 1.14 0 CA-C-N 119.501 0.857 . . . . 0.0 114.143 -5.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.764 1.626 . . . . 0.0 113.617 -169.251 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptp -71.45 159.99 33.52 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.934 0.894 . . . . 0.0 112.994 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 151.36 46.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.928 0.891 . . . . 0.0 112.591 176.001 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.22 64.93 7.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.969 1.307 . . . . 0.0 111.893 -178.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -141.18 158.72 43.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.976 1.71 . . . . 0.0 112.679 -176.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.56 147.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.548 1.539 . . . . 0.0 110.571 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.44 -34.8 20.01 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -126.9 170.68 11.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.591 1.956 . . . . 0.0 111.433 -172.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.8 22.89 78.27 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 115.198 0.839 . . . . 0.0 115.198 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -59.67 -29.24 67.92 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.803 1.302 . . . . 0.0 114.079 -174.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -86.26 55.91 3.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.807 1.643 . . . . 0.0 111.616 175.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp 54.24 36.39 24.96 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.807 2.043 . . . . 0.0 113.46 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.97 -148.12 18.85 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 126.168 1.842 . . . . 0.0 113.331 175.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 171.13 14.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.32 1.448 . . . . 0.0 112.797 -178.259 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.284 5.3 m 54.34 176.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 129.471 3.108 . . . . 0.0 116.827 176.328 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -150.12 131.57 14.74 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.416 1.486 . . . . 0.0 110.886 -177.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -159.06 154.36 25.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.055 1.342 . . . . 0.0 112.061 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.95 -9.02 58.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.346 1.459 . . . . 0.0 114.808 -172.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m 57.88 48.8 12.96 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.808 2.043 . . . . 0.0 112.875 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.66 151.03 45.39 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.225 -0.922 . . . . 0.0 110.913 169.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -126.62 13.26 7.5 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.955 1.702 . . . . 0.0 113.815 -168.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -63.31 146.35 53.65 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.308 1.043 . . . . 0.0 112.87 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -143.51 32.84 1.3 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.685 1.594 . . . . 0.0 112.368 -168.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 139.86 58.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.307 1.043 . . . . 0.0 113.526 -162.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . 0.261 1.6 pt? -101.66 69.98 1.24 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.721 1.608 . . . . 0.0 112.496 -177.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.65 145.54 34.57 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.316 1.446 . . . . 0.0 112.281 -178.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.48 110.38 3.09 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.725 2.95 . . . . 0.0 110.527 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -140.96 165.46 27.49 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.64 101.96 5.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.288 2.635 . . . . 0.0 109.458 -172.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 110.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.489 1.116 . . . . 0.0 108.946 176.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 159.11 15.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 111.386 162.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -110.17 150.47 28.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.73 1.212 . . . . 0.0 110.328 167.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -139.38 140.83 37.56 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.339 1.056 . . . . 0.0 111.189 175.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -108.23 126.99 53.44 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.574 1.55 . . . . 0.0 111.722 -177.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -78.3 176.56 9.18 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.746 1.218 . . . . 0.0 111.246 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -79.42 -11.7 59.91 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.347 -0.845 . . . . 0.0 112.477 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -96.25 11.42 34.59 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.308 1.843 . . . . 0.0 111.549 175.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.16 89.11 Favored Glycine 0 N--CA 1.471 1.028 0 C-N-CA 126.552 2.025 . . . . 0.0 115.076 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.79 120.16 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.779 0.832 . . . . 0.0 110.818 -165.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.42 128.32 49.06 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.452 0.701 . . . . 0.0 111.565 -175.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.09 162.44 26.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.814 1.645 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -109.86 136.91 48.41 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.6 1.16 . . . . 0.0 111.178 -177.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -124.12 108.16 30.06 Favored Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 124.262 1.025 . . . . 0.0 109.992 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.09 118.4 4.03 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.341 2.694 . . . . 0.0 111.008 171.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.91 139.97 34.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.237 1.415 . . . . 0.0 111.282 173.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.34 160.88 22.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.89 0.876 . . . . 0.0 111.488 176.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.28 -21.35 48.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.093 1.357 . . . . 0.0 114.064 -176.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.42 -11.2 59.92 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.79 26.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.863 2.065 . . . . 0.0 112.553 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -136.17 145.6 45.95 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 112.154 174.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -57.95 110.1 2.28 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 128.263 2.625 . . . . 0.0 112.306 -168.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.83 150.61 44.56 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.306 2.671 . . . . 0.0 110.946 166.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.98 -29.89 15.08 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.826 1.679 . . . . 0.0 115.248 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.02 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.099 0.95 . . . . 0.0 112.801 172.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -157.46 148.04 21.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.158 1.383 . . . . 0.0 112.249 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 126.33 29.38 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.822 -1.174 . . . . 0.0 112.003 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.99 164.22 13.17 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 112.824 -178.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -68.43 -14.67 63.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -176.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -68.63 -17.07 64.04 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 121.638 0.733 . . . . 0.0 112.62 168.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.51 13.5 56.94 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.559 1.552 . . . . 0.0 113.779 -177.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 tpt -111.36 149.01 31.77 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.799 1.64 . . . . 0.0 111.285 176.036 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.12 109.89 2.77 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.528 0.731 . . . . 0.0 110.053 171.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.55 148.56 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.69 1.138 . . . . 0.0 112.25 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.1 m -106.26 140.2 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.724 -0.868 . . . . 0.0 111.369 172.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp -58.89 122.94 14.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.426 1.49 . . . . 0.0 112.725 -178.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.78 154.25 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.708 1.603 . . . . 0.0 112.248 177.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.47 125.24 31.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.899 0.88 . . . . 0.0 110.717 172.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.73 34.28 0.02 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.703 0.668 . . . . 0.0 114.247 -177.566 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -143.29 -159.9 1.04 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.298 1.839 . . . . 0.0 109.903 -174.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.76 153.24 16.74 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.548 1.539 . . . . 0.0 111.682 171.308 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.89 76.58 2.89 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.15 3.234 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 41.66 74.72 0.7 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.821 2.848 . . . . 0.0 114.316 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.51 130.75 15.0 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.267 2.645 . . . . 0.0 114.093 171.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 48.23 48.13 18.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.293 2.237 . . . . 0.0 114.514 -172.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -67.85 123.2 19.89 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.976 0.91 . . . . 0.0 109.817 164.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.6 t 60.59 131.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.365 1.866 . . . . 0.0 112.495 -159.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -84.44 -59.81 0.33 Allowed Pre-proline 0 N--CA 1.474 0.741 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.238 -175.818 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -61.42 157.54 40.51 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 122.588 2.192 . . . . 0.0 112.322 172.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.81 136.78 50.66 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.327 2.685 . . . . 0.0 113.0 -174.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.284 0 C-N-CA 127.452 2.301 . . . . 0.0 111.489 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.637 0.256 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.15 -17.35 63.4 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.725 -1.235 . . . . 0.0 113.458 176.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.63 -14.66 62.56 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 173.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -85.14 -3.33 58.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.502 1.121 . . . . 0.0 113.599 176.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -68.16 151.96 46.21 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.887 1.275 . . . . 0.0 112.402 178.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 m -80.04 148.26 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.193 1.397 . . . . 0.0 111.668 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.93 -10.25 43.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.088 1.355 . . . . 0.0 113.892 -176.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -137.53 154.21 49.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.263 1.825 . . . . 0.0 110.688 174.205 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.19 -31.57 0.54 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.171 1.367 . . . . 0.0 113.169 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 p -76.55 168.14 20.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.424 1.49 . . . . 0.0 112.194 165.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 tpp180 -60.9 135.5 57.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 111.601 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -139.97 170.71 15.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.125 1.77 . . . . 0.0 111.961 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.37 109.95 3.17 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 123.975 0.797 . . . . 0.0 112.734 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.42 157.77 42.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.888 1.675 . . . . 0.0 111.477 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -132.97 26.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 124.681 1.192 . . . . 0.0 112.091 -178.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m 53.94 49.01 19.92 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 168.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -109.95 -40.07 4.87 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.006 1.322 . . . . 0.0 113.516 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -163.83 -38.86 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.969 2.108 . . . . 0.0 111.642 170.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m 55.09 87.97 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.248 2.619 . . . . 0.0 113.395 171.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -150.28 155.2 39.24 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 130.366 3.467 . . . . 0.0 111.566 1.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -151.62 164.9 35.88 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.891 1.276 . . . . 0.0 113.769 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.96 162.16 20.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.08 1.352 . . . . 0.0 112.258 174.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.9 t60 54.13 39.09 30.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.631 1.972 . . . . 0.0 114.02 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.61 -169.91 3.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.401 1.881 . . . . 0.0 110.583 -175.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.63 139.93 36.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.316 0.646 . . . . 0.0 110.215 162.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.32 168.25 11.45 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.66 1.184 . . . . 0.0 112.007 -161.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -57.01 138.5 86.6 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.746 2.964 . . . . 0.0 111.867 169.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -141.04 167.75 21.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.413 -172.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.98 114.02 14.1 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 127.993 2.517 . . . . 0.0 108.969 178.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.12 101.82 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 123.88 0.872 . . . . 0.0 108.948 173.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.33 145.08 29.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.765 0.826 . . . . 0.0 111.634 176.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -101.03 151.14 22.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.193 0.997 . . . . 0.0 112.354 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.33 142.82 31.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.11 0.964 . . . . 0.0 111.566 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -109.39 126.28 53.27 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.115 1.766 . . . . 0.0 111.523 -179.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 p -77.15 176.22 8.92 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.919 1.288 . . . . 0.0 111.28 178.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.94 -11.62 60.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.374 -0.829 . . . . 0.0 112.468 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -96.2 11.44 34.42 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.126 1.77 . . . . 0.0 111.535 175.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.91 1.39 90.25 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 126.345 1.926 . . . . 0.0 114.941 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.53 120.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.732 0.766 . . . . 0.0 110.188 -167.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -102.52 127.87 49.4 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 111.391 -175.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -125.94 163.39 23.09 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.63 1.572 . . . . 0.0 111.73 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -111.19 131.94 54.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.221 1.408 . . . . 0.0 110.068 177.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.0 t -115.36 110.14 45.52 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.965 1.706 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.89 129.37 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.185 2.59 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.01 142.76 48.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.077 1.751 . . . . 0.0 111.028 174.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.05 159.19 20.26 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.035 -1.04 . . . . 0.0 111.466 176.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.91 -19.96 61.33 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.58 -13.92 61.1 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.838 1.255 . . . . 0.0 113.426 171.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.73 5.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.101 2.161 . . . . 0.0 112.619 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.75 167.15 21.05 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.003 1.721 . . . . 0.0 111.504 173.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 mm -91.7 109.38 36.31 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 126.501 1.92 . . . . 0.0 109.493 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.86 152.04 57.56 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.367 2.711 . . . . 0.0 110.749 168.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.85 15.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.648 1.594 . . . . 0.0 115.102 179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -140.0 159.35 42.37 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.226 1.013 . . . . 0.0 112.516 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -157.76 148.02 20.6 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.26 1.424 . . . . 0.0 112.298 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 124.95 25.23 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.826 -1.171 . . . . 0.0 111.822 -179.052 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.75 165.09 12.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.043 1.337 . . . . 0.0 113.018 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -68.65 -13.86 62.64 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -69.12 -17.13 63.81 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 118.855 0.752 . . . . 0.0 112.539 168.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.48 49.85 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.484 1.516 . . . . 0.0 113.879 -176.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.1 tpt -115.89 149.85 38.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.669 1.587 . . . . 0.0 111.514 176.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.79 110.03 2.68 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.684 0.794 . . . . 0.0 110.173 171.769 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.69 148.6 22.81 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.512 1.053 . . . . 0.0 112.212 175.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 m -106.41 137.93 43.5 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.744 -0.857 . . . . 0.0 111.691 173.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 120.67 10.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.752 1.621 . . . . 0.0 111.917 -172.313 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.83 155.95 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.505 1.922 . . . . 0.0 110.269 172.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -140.12 147.36 40.1 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.142 -0.974 . . . . 0.0 112.096 167.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.79 -6.95 68.53 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.702 1.144 . . . . 0.0 115.422 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.14 157.47 43.41 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.763 2.425 . . . . 0.0 107.75 172.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.73 129.21 91.31 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.61 1.164 . . . . 0.0 111.791 -172.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -82.2 56.23 5.71 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.373 3.382 . . . . 0.0 111.845 -176.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 41.16 59.99 8.26 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.43 2.292 . . . . 0.0 114.206 -174.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -78.83 59.9 7.49 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.686 3.591 . . . . 0.0 112.956 -172.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -130.21 -15.63 3.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.419 2.288 . . . . 0.0 113.662 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.74 135.24 57.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 112.187 -169.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.59 153.76 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.324 1.05 . . . . 0.0 112.664 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -145.05 136.38 12.6 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 125.929 1.691 . . . . 0.0 110.123 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -60.22 148.75 88.7 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.806 2.338 . . . . 0.0 112.443 -179.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -82.98 -0.86 54.22 Favored 'Cis proline' 0 CA--C 1.547 1.132 0 N-CA-C 115.382 1.262 . . . . 0.0 115.382 9.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 124.681 1.192 . . . . 0.0 112.906 -179.798 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 96.7 mtp -85.7 -13.91 47.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -174.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.35 151.45 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.14 2.176 . . . . 0.0 114.212 -163.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.9 t0 58.0 171.3 0.05 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.823 1.649 . . . . 0.0 113.269 -163.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 130.92 41.74 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.205 -1.56 . . . . 0.0 110.922 173.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 t -146.28 147.32 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.139 1.776 . . . . 0.0 108.786 179.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -78.64 4.42 13.64 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -135.97 174.02 11.07 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.627 2.771 . . . . 0.0 110.039 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.28 -89.77 0.06 OUTLIER Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.076 1.322 . . . . 0.0 113.742 171.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -57.99 -30.52 66.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.279 1.032 . . . . 0.0 112.511 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -96.79 120.17 36.62 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.783 1.233 . . . . 0.0 109.512 162.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.35 143.51 42.82 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.65 0.78 . . . . 0.0 111.3 -178.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.92 170.51 33.63 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.463 1.03 . . . . 0.0 113.838 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.6 36.21 2.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.792 1.637 . . . . 0.0 111.795 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.46 150.99 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.117 1.367 . . . . 0.0 114.064 -170.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.3 m -138.53 117.41 12.39 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.091 1.756 . . . . 0.0 110.0 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.253 95.2 m-85 63.3 142.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 1 C-N-CA 133.74 4.816 . . . . 0.0 118.136 10.378 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.53 110.12 14.07 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.704 -1.589 . . . . 0.0 107.742 139.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -86.67 134.74 33.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.669 0.788 . . . . 0.0 111.492 -159.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -145.41 151.22 37.9 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.276 1.43 . . . . 0.0 110.638 174.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -140.36 139.85 35.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.607 1.163 . . . . 0.0 112.48 -177.17 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -137.86 167.55 21.51 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.544 1.938 . . . . 0.0 110.679 166.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 51.52 42.03 29.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.192 1.397 . . . . 0.0 113.699 -179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.16 166.29 2.2 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.966 1.706 . . . . 0.0 115.019 -171.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.2 mt -71.29 99.0 1.85 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.677 1.191 . . . . 0.0 111.815 -172.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.91 152.05 47.02 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 110.817 178.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.63 111.28 3.2 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 123.558 2.839 . . . . 0.0 112.051 -173.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.2 ptt-85 -141.01 166.56 24.44 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.093 1.757 . . . . 0.0 113.902 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.47 101.93 5.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 127.669 2.388 . . . . 0.0 109.144 -174.109 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.24 108.33 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 154.37 17.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.298 1.039 . . . . 0.0 110.282 164.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -104.29 153.35 21.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.87 0.868 . . . . 0.0 110.358 169.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -139.32 138.16 36.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.581 1.153 . . . . 0.0 111.142 172.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 ttp85 -104.25 125.72 50.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -178.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.2 p -79.68 177.97 8.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.734 1.214 . . . . 0.0 111.761 178.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.46 -16.45 61.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -178.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.04 1.79 55.93 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.2 0.909 . . . . 0.0 112.871 171.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.09 88.8 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.931 1.253 . . . . 0.0 114.625 -168.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.26 120.0 18.27 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.541 1.171 . . . . 0.0 108.567 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.34 132.58 48.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.496 0.665 . . . . 0.0 111.6 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.43 159.97 30.59 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.625 1.57 . . . . 0.0 111.27 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.17 127.59 55.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.435 1.094 . . . . 0.0 110.414 -175.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -117.37 109.45 42.14 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 124.728 1.211 . . . . 0.0 109.432 -177.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.73 118.39 4.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.604 2.203 . . . . 0.0 110.923 172.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -98.05 143.38 28.66 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.827 1.651 . . . . 0.0 110.635 172.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.62 28.22 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.317 -0.865 . . . . 0.0 109.912 173.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -19.81 58.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.92 -15.14 62.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.256 1.022 . . . . 0.0 112.926 172.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.73 171.16 7.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.837 2.055 . . . . 0.0 112.17 176.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.12 148.63 43.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.745 1.618 . . . . 0.0 111.362 173.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -66.39 110.1 4.31 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 128.351 2.66 . . . . 0.0 111.652 -173.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.75 150.33 55.95 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.389 2.726 . . . . 0.0 110.914 167.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -29.95 14.86 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.697 1.618 . . . . 0.0 115.485 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -140.0 159.74 41.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.248 1.024 . . . . 0.0 112.506 171.065 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.82 148.06 23.58 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.326 1.45 . . . . 0.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 125.97 28.32 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.893 -1.13 . . . . 0.0 111.446 -179.411 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.2 m -92.55 161.94 14.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.448 1.099 . . . . 0.0 112.769 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -70.32 -10.78 59.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -175.588 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.78 -17.11 63.98 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.191 0.996 . . . . 0.0 112.663 167.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 12.73 61.51 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.418 1.485 . . . . 0.0 113.684 -174.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.5 tpp -112.75 146.87 38.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.556 1.542 . . . . 0.0 111.306 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.02 110.14 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.134 0.974 . . . . 0.0 110.241 175.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.87 148.56 20.38 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.461 1.029 . . . . 0.0 113.091 178.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -110.36 138.11 47.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.851 0.86 . . . . 0.0 112.036 175.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 122.37 14.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.072 1.749 . . . . 0.0 111.896 -170.584 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.41 151.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.306 1.842 . . . . 0.0 110.422 167.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.01 120.82 24.71 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.959 178.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.48 49.96 3.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.233 1.397 . . . . 0.0 114.15 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t0 52.71 37.06 22.68 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.931 1.692 . . . . 0.0 112.975 -170.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.6 126.6 90.72 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.364 1.465 . . . . 0.0 111.33 -173.022 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.57 -41.21 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.581 2.187 . . . . 0.0 113.325 -176.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -141.56 59.91 10.79 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.973 1.309 . . . . 0.0 114.342 -176.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -78.48 59.9 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.51 3.473 . . . . 0.0 112.141 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -129.35 142.4 50.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.145 2.178 . . . . 0.0 111.219 -176.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -144.41 151.81 39.78 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.821 2.049 . . . . 0.0 110.747 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -127.28 120.53 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.74 1.216 . . . . 0.0 112.374 -176.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -63.05 158.4 54.99 Favored Pre-proline 0 N--CA 1.485 1.307 1 C-N-CA 132.137 4.175 . . . . 0.0 111.986 -9.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -65.23 166.98 49.0 Favored 'Cis proline' 0 CA--C 1.547 1.164 0 CA-C-N 121.138 1.442 . . . . 0.0 115.217 4.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.13 161.78 86.53 Favored 'Cis proline' 0 CA--C 1.54 0.8 0 CA-C-N 120.499 1.214 . . . . 0.0 114.313 6.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.562 1.945 . . . . 0.0 111.519 -178.971 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -19.17 45.87 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.153 2.581 . . . . 0.0 113.576 -5.756 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.76 179.98 6.31 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.134 1.374 . . . . 0.0 111.652 168.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.78 -26.05 67.53 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 177.511 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -71.79 152.01 43.04 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.419 1.488 . . . . 0.0 113.027 174.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.292 11.7 p 50.04 120.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 130.421 3.489 . . . . 0.0 116.285 175.225 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.09 17.63 0.75 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.349 -1.469 . . . . 0.0 114.183 -175.464 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -150.74 171.29 17.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.737 2.015 . . . . 0.0 110.737 -178.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.63 -14.16 69.46 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.311 0.884 . . . . 0.0 115.311 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.6 p -73.66 140.92 46.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.634 1.574 . . . . 0.0 115.004 -173.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.54 158.72 34.52 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.328 2.251 . . . . 0.0 110.03 162.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.6 tp -141.75 -31.5 0.56 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -172.296 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.18 12.97 81.56 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 123.79 0.709 . . . . 0.0 114.714 -172.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.85 170.86 15.32 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.954 1.701 . . . . 0.0 112.139 -178.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -71.72 170.8 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.506 1.522 . . . . 0.0 113.624 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t 60.35 70.54 0.62 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.485 1.914 . . . . 0.0 113.187 -175.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -151.61 -168.78 3.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.716 2.006 . . . . 0.0 111.02 -175.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.99 4.85 3.79 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . 0.261 4.8 m 61.77 42.26 10.85 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.745 2.018 . . . . 0.0 114.289 166.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.88 100.82 4.92 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.952 -1.093 . . . . 0.0 108.712 156.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -77.47 111.84 13.61 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.084 -1.01 . . . . 0.0 111.378 -169.297 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -130.18 80.14 1.94 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 130.361 3.465 . . . . 0.0 110.084 -1.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 59.97 170.23 0.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.722 2.409 . . . . 0.0 114.521 -170.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -110.29 160.6 16.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.693 1.597 . . . . 0.0 113.886 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.21 138.8 49.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.419 1.488 . . . . 0.0 110.0 172.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.39 111.72 25.98 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.444 1.497 . . . . 0.0 110.442 176.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -64.5 99.5 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.702 2.934 . . . . 0.0 113.401 -178.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -141.1 167.57 21.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 114.139 178.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.12 110.29 9.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.955 2.502 . . . . 0.0 109.149 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -87.89 107.45 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 173.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.96 166.1 11.77 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.929 0.892 . . . . 0.0 111.237 170.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.32 154.21 31.64 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.717 1.207 . . . . 0.0 110.76 169.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -141.79 141.67 33.19 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.863 1.265 . . . . 0.0 111.085 174.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -107.38 125.19 50.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.583 1.953 . . . . 0.0 110.666 -178.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -80.43 178.33 8.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.796 1.239 . . . . 0.0 111.82 -178.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.87 -16.55 61.58 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.58 2.16 56.08 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.173 0.897 . . . . 0.0 112.747 171.287 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.67 8.63 87.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.882 1.229 . . . . 0.0 114.614 -168.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.7 119.89 19.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.794 1.297 . . . . 0.0 108.265 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -102.54 132.78 48.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.219 0.608 . . . . 0.0 111.677 -178.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.0 163.15 27.09 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.236 1.414 . . . . 0.0 112.259 178.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.96 134.24 52.32 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.449 1.499 . . . . 0.0 110.892 -178.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.2 110.01 29.06 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.921 1.289 . . . . 0.0 110.736 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.14 130.08 18.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.354 3.369 . . . . 0.0 112.167 168.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.66 142.54 47.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.617 1.967 . . . . 0.0 111.251 171.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.5 157.12 24.96 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.239 -0.913 . . . . 0.0 110.799 174.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.24 -19.9 56.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.392 1.077 . . . . 0.0 113.836 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.92 -13.39 61.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.6 1.16 . . . . 0.0 113.215 172.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.61 162.12 18.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.03 2.132 . . . . 0.0 112.213 177.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -131.84 141.44 49.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.303 . . . . 0.0 111.064 172.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.34 110.09 2.22 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 127.789 2.436 . . . . 0.0 111.182 -173.238 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.46 149.83 56.83 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.269 2.646 . . . . 0.0 110.49 170.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.97 -29.97 15.17 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.503 1.525 . . . . 0.0 115.202 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 p -139.98 159.9 41.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.174 0.987 . . . . 0.0 112.257 170.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -157.16 148.03 21.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.626 1.57 . . . . 0.0 111.715 -178.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 125.03 25.31 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.958 -1.089 . . . . 0.0 111.635 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.63 165.51 14.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.371 1.069 . . . . 0.0 112.535 -179.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -67.14 -16.56 64.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.284 1.034 . . . . 0.0 113.65 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.03 -17.17 63.86 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.191 1.396 . . . . 0.0 113.388 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 11.6 63.21 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.839 1.209 . . . . 0.0 113.687 -173.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -111.15 147.1 35.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.741 1.616 . . . . 0.0 110.958 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.24 110.02 3.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.668 0.787 . . . . 0.0 110.33 175.099 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.06 149.14 21.92 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.543 1.068 . . . . 0.0 112.924 176.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 m -108.46 137.94 45.59 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.941 0.896 . . . . 0.0 111.776 174.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.11 122.15 13.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.912 1.685 . . . . 0.0 111.001 -174.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.9 156.08 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.987 1.715 . . . . 0.0 111.618 173.175 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.93 123.65 18.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.523 0.729 . . . . 0.0 111.502 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.53 49.92 0.02 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.153 1.359 . . . . 0.0 111.393 -174.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -146.55 -159.9 1.08 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.839 2.056 . . . . 0.0 110.755 -159.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.63 150.26 67.43 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.798 1.239 . . . . 0.0 113.681 -174.304 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -79.76 48.25 2.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 124.88 3.72 . . . . 0.0 112.562 178.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 41.03 60.02 8.06 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 127.837 2.455 . . . . 0.0 114.994 -177.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -68.49 159.85 51.74 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.589 2.859 . . . . 0.0 112.61 176.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -124.05 156.48 36.45 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.512 1.525 . . . . 0.0 111.85 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.72 41.8 0.58 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.094 1.758 . . . . 0.0 113.221 179.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.91 155.45 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.883 1.273 . . . . 0.0 112.123 176.064 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -146.07 152.24 46.86 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.337 1.455 . . . . 0.0 111.872 -178.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -69.73 159.28 54.02 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 123.267 2.645 . . . . 0.0 112.584 176.072 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.41 -12.68 18.79 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.737 2.958 . . . . 0.0 114.287 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.63 1.972 . . . . 0.0 111.584 -178.269 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 119.742 -0.171 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -148.86 161.1 42.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 129.352 3.061 . . . . 0.0 111.422 -4.405 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.77 161.87 38.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.31 1.444 . . . . 0.0 112.085 178.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -145.47 171.29 14.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.474 1.51 . . . . 0.0 111.136 177.12 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.74 19.87 0.37 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -170.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 m -139.53 152.12 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 128.435 2.694 . . . . 0.0 111.577 -175.296 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.3 153.76 37.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.105 0.962 . . . . 0.0 111.51 174.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -71.33 135.27 47.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.324 1.05 . . . . 0.0 111.428 177.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.47 -163.18 33.36 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.052 1.31 . . . . 0.0 112.576 -178.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -68.96 156.29 38.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.383 0.673 . . . . 0.0 112.024 174.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -114.33 69.27 0.71 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.839 1.656 . . . . 0.0 111.135 -171.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.51 147.91 52.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.482 1.113 . . . . 0.0 111.485 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.91 47.72 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 127.292 2.377 . . . . 0.0 113.221 -2.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.1 165.81 26.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.156 2.582 . . . . 0.0 111.985 1.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.87 150.74 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.346 1.059 . . . . 0.0 113.149 -176.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.6 p -121.64 16.88 11.17 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.726 1.61 . . . . 0.0 113.066 177.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -148.52 17.72 1.04 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.35 2.26 . . . . 0.0 113.044 -167.146 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 52.91 36.42 21.7 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.825 2.05 . . . . 0.0 114.067 177.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 59.12 20.52 8.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.867 1.667 . . . . 0.0 113.969 -179.161 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.04 153.64 42.44 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.551 -1.343 . . . . 0.0 112.006 172.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -66.06 -21.57 66.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.237 1.015 . . . . 0.0 113.67 179.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.79 54.62 10.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.776 2.03 . . . . 0.0 113.694 170.321 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -66.53 138.25 57.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.521 0.729 . . . . 0.0 111.472 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 57.07 175.13 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.142 1.777 . . . . 0.0 114.682 -171.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.32 139.8 50.68 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.187 1.395 . . . . 0.0 111.628 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.76 30.57 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.21 1.804 . . . . 0.0 110.636 175.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.25 151.32 81.17 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.204 2.603 . . . . 0.0 111.61 174.065 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -141.04 163.08 33.94 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.69 102.04 5.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.182 2.593 . . . . 0.0 109.505 -172.586 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 108.84 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.102 0.961 . . . . 0.0 108.536 175.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.93 13.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 111.116 167.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.08 149.88 32.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.958 1.303 . . . . 0.0 110.64 170.299 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.83 140.89 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.02 0.928 . . . . 0.0 111.012 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -108.1 124.17 49.82 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.228 1.811 . . . . 0.0 111.204 -178.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -77.3 177.65 7.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.042 1.337 . . . . 0.0 111.353 178.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.4 -15.44 61.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.42 0.66 56.0 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.151 0.887 . . . . 0.0 112.739 170.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.93 4.79 88.39 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.224 1.392 . . . . 0.0 114.701 -168.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.68 120.03 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.7 1.25 . . . . 0.0 109.051 -178.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -102.37 134.39 45.75 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.646 0.736 . . . . 0.0 112.324 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.08 159.96 35.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.838 1.655 . . . . 0.0 111.715 178.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -112.44 128.95 56.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.439 1.496 . . . . 0.0 111.035 -174.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.54 110.0 32.37 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.549 1.14 . . . . 0.0 110.86 -177.185 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.67 123.55 8.13 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.035 3.157 . . . . 0.0 111.879 169.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.02 140.39 39.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.426 1.89 . . . . 0.0 111.395 171.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.86 160.12 24.85 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.41 -0.806 . . . . 0.0 111.182 175.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.38 -20.04 58.04 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.464 1.106 . . . . 0.0 113.57 178.417 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.95 -13.82 61.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.064 1.346 . . . . 0.0 113.471 172.009 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.34 160.67 22.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.716 2.007 . . . . 0.0 112.511 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -130.91 140.28 50.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.971 1.308 . . . . 0.0 111.177 172.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.4 mm -55.34 110.07 2.0 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 127.981 2.512 . . . . 0.0 111.872 -173.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.13 149.65 52.48 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.353 2.702 . . . . 0.0 110.715 168.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.89 15.82 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.665 1.602 . . . . 0.0 115.131 179.262 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.6 p -139.91 160.36 40.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.056 0.928 . . . . 0.0 112.853 171.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.05 146.81 22.0 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.074 1.35 . . . . 0.0 112.251 -179.132 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 125.55 27.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.764 -1.21 . . . . 0.0 111.596 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -96.59 163.23 13.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.802 1.241 . . . . 0.0 113.069 -177.038 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -68.47 -13.48 62.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -174.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.11 -17.05 64.7 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.999 0.92 . . . . 0.0 112.723 168.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.65 13.48 59.53 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.558 1.551 . . . . 0.0 113.728 -174.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.8 tpt -115.54 148.99 38.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.207 1.403 . . . . 0.0 111.521 178.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.66 110.04 2.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.82 0.848 . . . . 0.0 110.131 172.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.27 146.48 21.85 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.477 1.037 . . . . 0.0 112.158 175.21 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -105.72 140.02 39.41 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.852 -0.793 . . . . 0.0 111.584 173.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.19 123.31 16.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.309 1.443 . . . . 0.0 112.665 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.1 156.0 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.556 1.542 . . . . 0.0 111.412 177.159 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -137.7 138.9 39.84 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.372 1.069 . . . . 0.0 111.915 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.99 -9.72 27.3 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 116.389 1.316 . . . . 0.0 116.389 161.3 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 65.7 156.7 0.09 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.124 2.17 . . . . 0.0 115.272 -178.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.4 157.09 90.72 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.716 1.606 . . . . 0.0 111.281 171.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -69.39 28.63 0.17 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 124.785 3.657 . . . . 0.0 115.586 175.553 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 40.71 59.94 7.71 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 127.673 2.389 . . . . 0.0 113.503 -166.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.66 138.93 42.85 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.59 2.86 . . . . 0.0 112.131 -178.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -162.22 166.5 25.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.253 1.821 . . . . 0.0 111.948 -171.098 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -137.07 138.42 40.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.839 1.655 . . . . 0.0 110.766 174.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.7 m -80.18 142.18 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.052 0.941 . . . . 0.0 111.774 172.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -138.0 150.57 67.79 Favored Pre-proline 0 N--CA 1.479 1.019 0 C-N-CA 125.919 1.688 . . . . 0.0 110.247 -178.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.84 164.36 39.06 Favored 'Cis proline' 0 CA--C 1.55 1.315 0 CA-C-N 121.442 1.551 . . . . 0.0 114.517 -0.139 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -85.28 -50.15 0.16 OUTLIER 'Cis proline' 0 C--N 1.357 1.025 0 N-CA-C 116.841 1.823 . . . . 0.0 116.841 14.588 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 124.948 1.299 . . . . 0.0 113.216 -164.331 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.586 0.231 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.1 mtt -81.8 66.58 7.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.246 1.418 . . . . 0.0 111.731 -179.063 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.95 157.21 45.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.868 1.667 . . . . 0.0 111.999 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -150.6 171.32 17.29 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.917 1.687 . . . . 0.0 110.83 -178.418 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -76.81 19.96 0.26 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.433 1.493 . . . . 0.0 113.432 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.19 139.88 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 128.102 2.561 . . . . 0.0 107.985 175.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.83 141.53 57.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.391 0.677 . . . . 0.0 112.264 -176.648 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -81.6 159.97 23.92 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.097 1.359 . . . . 0.0 112.058 175.137 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.82 -166.62 54.57 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.392 0.996 . . . . 0.0 113.742 -175.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -149.74 168.72 22.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.167 1.387 . . . . 0.0 112.104 -179.148 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.81 142.27 48.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.544 1.937 . . . . 0.0 110.773 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -73.48 122.64 22.48 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.239 1.016 . . . . 0.0 112.456 -173.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.88 -7.13 9.95 Favored Glycine 0 CA--C 1.539 1.579 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 167.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.22 176.71 12.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.267 1.427 . . . . 0.0 112.32 -176.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -74.82 164.58 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.816 1.246 . . . . 0.0 112.913 175.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 t -147.0 145.95 29.9 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.135 1.374 . . . . 0.0 110.941 171.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -152.8 160.17 43.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.577 1.551 . . . . 0.0 111.867 -176.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.42 -12.4 60.04 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -172.095 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m 54.82 39.15 31.28 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.458 1.903 . . . . 0.0 113.094 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -80.37 29.71 0.29 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.167 -1.583 . . . . 0.0 114.01 -177.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 mtp-105 -145.41 30.73 1.11 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.376 2.67 . . . . 0.0 110.937 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -61.06 136.06 57.96 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -162.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -154.58 148.12 25.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.274 2.229 . . . . 0.0 109.007 169.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 56.95 -169.87 0.1 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.1 0.96 . . . . 0.0 112.764 -170.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.99 70.01 2.65 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.41 -1.431 . . . . 0.0 112.285 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.94 131.81 23.84 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.815 1.646 . . . . 0.0 110.387 -174.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -80.05 96.69 1.03 Allowed 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.642 -1.399 . . . . 0.0 111.925 -56.189 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -141.13 166.26 25.26 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.47 113.0 12.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.419 2.687 . . . . 0.0 108.969 -178.665 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 mm -87.59 107.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 163.09 13.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.569 0.748 . . . . 0.0 110.97 170.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -120.11 148.85 43.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.949 1.3 . . . . 0.0 110.766 174.331 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -140.07 143.56 36.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.96 0.904 . . . . 0.0 111.843 176.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -109.25 125.25 52.08 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.88 2.072 . . . . 0.0 111.052 -178.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p -78.13 177.18 8.56 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.141 1.376 . . . . 0.0 111.401 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.07 -11.15 59.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.428 -0.795 . . . . 0.0 112.598 -178.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.47 11.83 37.01 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.431 1.892 . . . . 0.0 111.553 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.95 1.63 89.91 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.479 1.99 . . . . 0.0 115.151 -178.232 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.8 120.12 25.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.542 0.671 . . . . 0.0 110.21 -167.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -102.46 127.58 49.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.349 0.659 . . . . 0.0 111.684 -176.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -126.78 163.68 23.02 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.966 1.706 . . . . 0.0 111.651 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -109.92 138.26 46.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -126.49 110.04 23.27 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 125.077 1.351 . . . . 0.0 110.211 177.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -71.11 130.02 17.05 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.231 3.287 . . . . 0.0 111.759 169.293 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -117.26 142.31 47.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.518 1.927 . . . . 0.0 111.31 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.44 159.3 21.79 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 178.031 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.27 -20.38 58.79 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 176.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.74 -11.86 60.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.41 172.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.95 174.06 6.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.16 2.184 . . . . 0.0 112.753 -177.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -132.55 167.12 20.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.208 1.803 . . . . 0.0 111.102 171.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.0 mm -88.51 109.99 33.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 126.839 2.056 . . . . 0.0 109.431 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.38 151.92 60.21 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.564 2.842 . . . . 0.0 110.609 168.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.95 15.62 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.388 1.47 . . . . 0.0 115.075 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.3 p -140.07 160.09 40.73 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.286 1.043 . . . . 0.0 112.472 171.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.14 148.2 20.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.483 1.513 . . . . 0.0 111.994 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 125.79 27.39 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.828 -1.17 . . . . 0.0 111.984 -179.318 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.8 m -93.69 164.58 13.09 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.613 1.165 . . . . 0.0 112.701 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -67.65 -14.89 63.33 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -176.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.32 -17.11 63.68 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 118.792 0.724 . . . . 0.0 112.766 169.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.05 14.25 56.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.489 1.519 . . . . 0.0 113.965 -177.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.3 tpp -111.74 147.89 34.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.147 1.779 . . . . 0.0 110.779 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.52 110.03 4.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.667 -0.646 . . . . 0.0 109.996 172.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.28 149.35 27.59 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.233 0.92 . . . . 0.0 112.312 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 m -103.9 139.01 39.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.766 0.826 . . . . 0.0 111.445 172.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 121.46 11.94 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.259 1.423 . . . . 0.0 110.722 -176.917 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.0 156.04 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 125.596 1.558 . . . . 0.0 112.722 179.358 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -103.21 141.77 35.31 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.96 1.304 . . . . 0.0 111.356 173.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.07 -46.51 0.08 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.358 0.98 . . . . 0.0 112.839 172.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.0 102.8 3.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.539 1.536 . . . . 0.0 109.043 168.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -130.08 155.62 80.44 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.029 1.732 . . . . 0.0 111.065 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.11 59.85 7.15 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 124.524 3.483 . . . . 0.0 112.065 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 38.31 66.15 2.66 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 128.341 2.656 . . . . 0.0 115.332 -177.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -60.09 165.28 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.215 2.61 . . . . 0.0 114.146 172.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.08 157.69 18.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.543 1.137 . . . . 0.0 113.361 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -66.92 138.01 56.97 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.465 1.106 . . . . 0.0 111.146 174.096 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.89 162.09 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 126.45 1.9 . . . . 0.0 111.052 178.112 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.35 156.87 74.25 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 125.645 1.578 . . . . 0.0 111.758 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.91 152.54 63.52 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.301 2.668 . . . . 0.0 113.883 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -68.97 152.48 73.33 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.454 2.769 . . . . 0.0 112.382 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.306 1.842 . . . . 0.0 111.692 -179.687 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 119.773 -0.156 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -98.63 155.25 17.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.131 2.972 . . . . 0.0 111.003 -4.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.89 178.29 5.66 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 128.715 2.806 . . . . 0.0 113.509 -1.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -141.48 159.25 42.6 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.683 1.593 . . . . 0.0 111.378 177.231 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -72.49 146.63 46.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.593 1.157 . . . . 0.0 112.205 -178.202 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.5 158.18 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.402 1.881 . . . . 0.0 111.707 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.51 155.23 36.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.208 1.003 . . . . 0.0 111.635 171.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -82.81 144.62 30.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.183 1.393 . . . . 0.0 111.591 175.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.22 95.84 1.03 Allowed Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.14 1.352 . . . . 0.0 111.386 165.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.7 p -147.96 -46.07 0.16 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.999 2.4 . . . . 0.0 113.661 -1.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -69.33 141.12 54.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -170.054 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.76 -39.8 11.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.78 2.432 . . . . 0.0 112.597 -3.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.97 4.66 59.15 Favored Glycine 0 CA--C 1.54 1.64 0 N-CA-C 117.291 1.677 . . . . 0.0 117.291 -167.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.5 29.89 7.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.181 1.792 . . . . 0.0 114.844 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 m -143.85 157.46 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 128.248 2.619 . . . . 0.0 109.513 171.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.8 m -91.9 141.19 28.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.937 0.895 . . . . 0.0 112.127 -176.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -156.86 -40.19 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -178.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -161.39 43.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.321 2.249 . . . . 0.0 108.613 -178.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -115.9 143.45 45.41 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.631 1.172 . . . . 0.0 113.408 -148.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.03 148.51 49.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 111.416 -175.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -11.41 60.72 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -177.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -133.82 62.68 1.65 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.541 1.936 . . . . 0.0 109.058 175.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -66.03 -30.69 71.27 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -156.869 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -141.21 152.54 44.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.15 1.38 . . . . 0.0 111.917 172.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -139.56 143.34 37.3 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.217 1.807 . . . . 0.0 110.312 173.067 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 50.06 72.41 1.25 Allowed Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.433 1.493 . . . . 0.0 113.378 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.53 125.66 19.77 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.729 2.953 . . . . 0.0 110.86 177.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -141.15 167.68 21.6 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -165.386 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.39 103.93 5.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 128.285 2.634 . . . . 0.0 109.792 -178.477 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 109.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 121.065 -1.022 . . . . 0.0 108.254 170.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 154.4 17.33 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.229 1.012 . . . . 0.0 110.34 164.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -104.6 153.91 20.61 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.829 0.852 . . . . 0.0 110.218 168.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -140.3 139.25 35.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.603 1.161 . . . . 0.0 111.491 173.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.47 124.52 49.73 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.022 1.729 . . . . 0.0 111.363 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 177.07 8.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.626 1.17 . . . . 0.0 111.681 179.05 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.52 -14.96 61.31 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.19 0.41 56.11 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 119.141 0.882 . . . . 0.0 112.752 170.298 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.62 4.02 87.87 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.262 1.41 . . . . 0.0 114.766 -168.396 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.94 120.03 17.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.686 1.243 . . . . 0.0 109.126 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.35 132.72 48.15 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.538 0.685 . . . . 0.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.2 159.93 34.52 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.555 1.542 . . . . 0.0 111.718 178.567 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -110.01 131.62 54.9 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.827 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.44 108.83 31.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 110.198 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -75.18 123.21 7.62 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.662 2.908 . . . . 0.0 111.473 170.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.13 143.61 33.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.597 1.959 . . . . 0.0 111.061 171.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 159.39 21.66 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.386 -0.821 . . . . 0.0 111.009 174.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.54 -19.93 58.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.58 1.152 . . . . 0.0 113.581 178.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -72.01 -13.38 61.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.943 1.297 . . . . 0.0 113.333 172.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.24 167.53 11.77 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.137 2.175 . . . . 0.0 112.289 178.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.92 148.79 47.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.839 1.256 . . . . 0.0 111.716 170.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.21 110.13 3.23 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 128.224 2.61 . . . . 0.0 111.491 -172.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.6 149.81 55.99 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.266 2.644 . . . . 0.0 110.715 168.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.82 15.51 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.631 1.586 . . . . 0.0 115.458 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.0 p -140.13 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.16 0.98 . . . . 0.0 112.399 171.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.97 148.04 23.34 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.331 1.452 . . . . 0.0 112.067 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 125.12 26.23 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.053 -1.029 . . . . 0.0 111.589 -177.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.6 m -95.41 163.7 13.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.927 1.291 . . . . 0.0 113.111 -177.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -71.05 -11.02 60.73 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.83 -17.14 64.41 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.146 0.979 . . . . 0.0 112.568 166.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.13 16.09 54.57 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.481 1.515 . . . . 0.0 113.759 -175.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.83 149.34 41.69 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.147 1.379 . . . . 0.0 111.659 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -63.77 110.02 1.92 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.991 0.916 . . . . 0.0 110.261 171.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.97 148.18 21.42 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.59 1.091 . . . . 0.0 112.331 175.276 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -108.26 138.0 45.28 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.605 -0.938 . . . . 0.0 112.142 175.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 121.85 12.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.082 1.753 . . . . 0.0 111.839 -171.111 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.86 156.02 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.476 1.91 . . . . 0.0 110.577 169.179 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.58 125.79 27.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.73 62.72 2.38 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.231 1.395 . . . . 0.0 112.022 167.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.96 61.06 3.73 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.89 1.676 . . . . 0.0 113.136 -168.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.58 151.64 91.55 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.065 1.346 . . . . 0.0 111.767 175.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -79.77 52.18 4.19 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 124.616 3.544 . . . . 0.0 112.28 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 34.95 59.98 2.38 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 128.058 2.543 . . . . 0.0 115.379 -173.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.77 141.68 91.22 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.93 2.42 . . . . 0.0 114.098 -173.365 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -146.91 -60.02 0.29 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.226 1.41 . . . . 0.0 111.928 174.36 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -93.65 56.5 2.38 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.846 1.658 . . . . 0.0 111.016 176.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.45 140.63 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.985 1.714 . . . . 0.0 110.196 -172.366 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -131.38 158.02 76.48 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 126.07 1.748 . . . . 0.0 111.334 177.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -58.8 151.78 61.84 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 123.312 2.675 . . . . 0.0 113.817 177.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.69 -16.29 16.67 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.57 2.847 . . . . 0.0 114.188 -177.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.551 1.941 . . . . 0.0 111.613 -178.229 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.6 mtt -68.66 -8.49 42.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -168.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.07 -14.64 49.96 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.743 1.217 . . . . 0.0 113.853 173.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -82.14 107.17 14.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.062 0.945 . . . . 0.0 110.984 177.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -140.75 155.48 46.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.125 1.37 . . . . 0.0 112.183 -170.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.79 19.98 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.508 1.523 . . . . 0.0 114.111 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 -17.52 50.13 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.41 1.484 . . . . 0.0 113.303 -179.412 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.07 159.25 19.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.529 1.532 . . . . 0.0 111.911 177.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.81 -164.11 11.55 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.808 1.194 . . . . 0.0 114.432 -179.536 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -63.15 -18.02 63.0 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.025 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -117.04 130.54 56.74 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.642 1.577 . . . . 0.0 109.466 161.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mp -109.89 5.63 22.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.608 1.563 . . . . 0.0 113.748 -168.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.78 -28.47 6.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.431 1.491 . . . . 0.0 113.712 -174.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.87 172.16 12.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.24 1.016 . . . . 0.0 110.867 157.606 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -68.23 105.78 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.089 -1.007 . . . . 0.0 110.185 177.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.3 p -162.07 151.43 15.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.68 1.592 . . . . 0.0 111.359 -168.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -160.87 161.04 31.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.808 1.243 . . . . 0.0 112.397 -170.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.16 -2.18 43.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -179.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.1 p 64.53 153.77 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.788 2.835 . . . . 0.0 115.612 -173.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -80.57 156.39 26.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.452 1.101 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -134.1 155.28 50.34 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.602 1.561 . . . . 0.0 112.057 -169.221 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -101.48 7.33 42.49 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 129.67 3.188 . . . . 0.0 113.468 0.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -69.38 166.39 18.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.261 1.424 . . . . 0.0 113.322 178.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -142.33 161.99 36.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.469 1.507 . . . . 0.0 113.12 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.2 143.92 50.96 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.809 1.644 . . . . 0.0 110.069 169.097 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.83 153.25 80.96 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.436 1.494 . . . . 0.0 112.628 -177.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.94 -149.83 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.975 1 C-N-CA 125.341 4.027 . . . . 0.0 112.108 177.524 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -48.89 150.81 1.38 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.311 2.244 . . . . 0.0 115.723 -165.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.68 101.99 6.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.339 2.256 . . . . 0.0 109.895 -162.397 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -83.45 107.27 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.141 0.976 . . . . 0.0 108.641 174.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 162.48 13.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.81 1.244 . . . . 0.0 111.231 168.122 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -113.51 147.75 37.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.141 1.376 . . . . 0.0 110.529 171.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -138.65 142.47 39.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.149 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -110.03 125.06 52.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 111.002 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.22 178.82 7.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.329 1.451 . . . . 0.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.42 -16.34 61.83 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.12 3.15 55.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.164 0.893 . . . . 0.0 112.951 171.34 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.16 6.63 89.24 Favored Glycine 0 N--CA 1.47 0.939 0 C-N-CA 124.995 1.284 . . . . 0.0 114.634 -168.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.57 120.14 17.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.433 1.117 . . . . 0.0 108.385 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -102.46 131.71 48.95 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.106 0.562 . . . . 0.0 111.409 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -127.21 164.15 22.33 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.654 1.582 . . . . 0.0 111.831 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.28 136.5 50.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.413 1.085 . . . . 0.0 110.827 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.67 110.06 33.89 Favored Pre-proline 0 N--CA 1.471 0.589 0 C-N-CA 125.036 1.334 . . . . 0.0 110.118 179.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.0 119.4 5.07 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.514 2.81 . . . . 0.0 111.453 172.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -102.11 139.98 37.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.555 1.542 . . . . 0.0 111.155 172.231 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 163.61 24.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.578 0.751 . . . . 0.0 112.283 -176.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -50.56 -26.51 5.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.62 1.568 . . . . 0.0 113.961 172.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.24 -11.86 59.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.648 1.579 . . . . 0.0 113.917 178.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.43 158.7 33.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.782 1.633 . . . . 0.0 113.324 -173.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.75 149.14 52.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.183 1.393 . . . . 0.0 111.902 177.398 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.9 mm -65.04 110.16 3.84 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 128.727 2.811 . . . . 0.0 112.607 -170.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.98 150.45 48.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.654 2.902 . . . . 0.0 111.127 166.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.97 15.1 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.855 1.693 . . . . 0.0 115.494 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.0 p -139.94 159.43 42.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.123 0.969 . . . . 0.0 112.656 172.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.23 148.03 19.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.128 1.371 . . . . 0.0 112.326 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 125.45 26.67 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.794 -1.191 . . . . 0.0 111.94 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -89.53 165.19 14.44 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.498 1.119 . . . . 0.0 112.495 -179.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -67.74 -16.1 63.96 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.25 -17.04 63.72 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.161 1.384 . . . . 0.0 113.247 170.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.93 12.68 61.78 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.035 1.302 . . . . 0.0 113.696 -174.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.3 tpp -112.08 146.2 38.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.594 1.558 . . . . 0.0 110.937 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.32 110.03 3.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.664 0.785 . . . . 0.0 110.475 175.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.53 149.59 22.75 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.382 0.991 . . . . 0.0 113.053 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -107.31 140.63 39.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.91 0.884 . . . . 0.0 111.34 172.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.29 121.94 12.66 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.395 1.478 . . . . 0.0 113.142 -176.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.29 156.04 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.075 1.75 . . . . 0.0 112.127 177.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -102.28 150.2 23.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.506 1.122 . . . . 0.0 111.143 170.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.4 -20.33 60.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.117 0.865 . . . . 0.0 115.128 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -120.64 -159.95 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.053 2.141 . . . . 0.0 111.933 -172.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 144.3 55.25 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.443 1.497 . . . . 0.0 112.572 -174.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -76.68 -9.47 29.37 Favored 'Cis proline' 0 C--N 1.354 0.868 0 N-CA-C 116.735 1.783 . . . . 0.0 116.735 8.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -127.07 68.98 73.04 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.995 1.318 . . . . 0.0 112.224 -173.468 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.3 144.13 73.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.183 2.588 . . . . 0.0 112.718 -177.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -148.73 146.26 28.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -83.59 52.92 2.37 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.01 1.724 . . . . 0.0 112.758 -173.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.17 164.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.09 1.356 . . . . 0.0 112.442 178.487 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -105.27 134.64 19.57 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.327 1.451 . . . . 0.0 111.024 176.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.11 161.71 86.62 Favored 'Cis proline' 0 CA--C 1.55 1.293 0 CA-C-N 120.035 1.048 . . . . 0.0 112.377 -8.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -65.25 -15.7 51.29 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.394 2.729 . . . . 0.0 116.049 -174.28 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 126.202 1.801 . . . . 0.0 111.096 179.18 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.4 tpt -73.73 -32.93 64.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.813 0.845 . . . . 0.0 113.222 -177.094 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.57 31.57 12.72 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.887 1.675 . . . . 0.0 115.031 178.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.21 156.24 37.47 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.97 1.308 . . . . 0.0 113.694 178.312 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -120.03 160.28 23.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.904 3.682 . . . . 0.0 112.267 -0.597 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 156.84 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.209 1.804 . . . . 0.0 111.879 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.96 162.68 24.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.662 1.185 . . . . 0.0 112.111 175.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -127.24 147.73 50.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.945 1.698 . . . . 0.0 111.341 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.95 -9.1 70.42 Favored Glycine 0 CA--C 1.539 1.583 0 N-CA-C 115.915 1.126 . . . . 0.0 115.915 -176.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -148.11 149.87 32.83 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.336 1.454 . . . . 0.0 111.508 176.191 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -93.04 95.87 9.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.426 1.49 . . . . 0.0 110.164 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.1 142.62 47.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.614 0.765 . . . . 0.0 110.373 174.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.18 30.82 78.81 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 123.734 0.683 . . . . 0.0 114.427 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 137.81 58.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.485 1.114 . . . . 0.0 113.666 -173.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.71 153.84 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.938 2.095 . . . . 0.0 110.869 177.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.2 p -84.86 162.18 19.61 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.524 2.73 . . . . 0.0 113.672 -1.447 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -113.29 1.62 15.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.129 1.771 . . . . 0.0 113.945 -178.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 52.07 34.89 14.96 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.88 2.072 . . . . 0.0 114.484 173.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 58.67 24.09 11.75 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.487 1.515 . . . . 0.0 113.999 -177.567 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t0 62.15 163.8 0.09 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.334 2.254 . . . . 0.0 115.173 -176.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.02 147.92 49.48 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.933 1.293 . . . . 0.0 112.755 -175.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.96 157.3 35.18 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.119 1.368 . . . . 0.0 112.154 177.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -68.82 -37.49 79.24 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.598 -0.689 . . . . 0.0 111.652 168.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.6 -177.86 0.08 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.624 2.37 . . . . 0.0 116.315 166.2 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.24 69.98 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.7 1.2 . . . . 0.0 111.764 -172.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.72 141.66 25.12 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.402 1.881 . . . . 0.0 110.804 173.754 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -72.86 69.87 3.64 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.426 2.751 . . . . 0.0 113.393 177.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -141.1 164.27 30.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.95 1.7 . . . . 0.0 114.129 178.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.44 117.84 14.71 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.711 2.404 . . . . 0.0 110.181 -178.057 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 mm -88.63 110.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 124.266 1.026 . . . . 0.0 109.13 169.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.91 154.41 17.32 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.424 0.631 . . . . 0.0 110.367 162.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -108.19 151.53 25.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.086 0.954 . . . . 0.0 109.594 167.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.58 137.78 38.89 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.878 0.871 . . . . 0.0 111.002 173.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -104.18 125.43 50.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 110.965 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -77.91 176.71 8.85 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.786 1.234 . . . . 0.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.36 -12.13 59.99 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.339 -0.851 . . . . 0.0 112.463 -178.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.96 11.53 33.61 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.105 1.762 . . . . 0.0 111.711 175.067 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.77 0.55 89.51 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 126.427 1.965 . . . . 0.0 115.087 -178.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.83 120.1 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.261 0.624 . . . . 0.0 110.072 -167.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -102.42 130.46 49.2 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.706 0.765 . . . . 0.0 112.071 -177.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -129.95 160.21 34.29 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.379 1.471 . . . . 0.0 111.677 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.99 132.79 53.84 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.474 1.11 . . . . 0.0 110.723 -173.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 t -120.11 109.57 37.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.121 0.968 . . . . 0.0 109.123 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.16 128.33 10.51 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.027 2.484 . . . . 0.0 110.736 173.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -116.07 143.92 44.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.817 1.647 . . . . 0.0 110.807 175.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 159.82 19.25 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.246 -0.909 . . . . 0.0 111.024 173.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.73 -20.0 60.21 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.579 1.151 . . . . 0.0 113.523 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -13.76 61.74 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.834 1.254 . . . . 0.0 113.356 172.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.41 162.67 17.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.739 2.016 . . . . 0.0 112.456 178.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.32 139.43 48.18 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.863 1.265 . . . . 0.0 111.362 173.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -59.14 110.2 2.49 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 128.244 2.617 . . . . 0.0 111.932 -174.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.4 149.93 51.35 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.376 2.717 . . . . 0.0 110.941 168.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -30.01 15.67 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.681 1.61 . . . . 0.0 115.589 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -139.92 160.4 40.0 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.235 1.017 . . . . 0.0 112.369 171.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -157.52 148.09 21.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.135 1.374 . . . . 0.0 112.368 -178.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 125.89 27.79 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.875 -1.141 . . . . 0.0 111.736 -178.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.7 m -94.38 165.57 12.5 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.886 1.275 . . . . 0.0 113.113 -178.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -66.47 -20.01 65.94 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -69.08 -17.11 63.83 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.632 0.773 . . . . 0.0 112.895 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.65 13.91 54.18 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.633 1.587 . . . . 0.0 114.012 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 tpt -110.74 148.54 32.1 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.894 1.678 . . . . 0.0 110.855 175.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.58 110.06 3.53 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.608 -0.682 . . . . 0.0 109.833 171.459 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.51 26.53 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.598 1.094 . . . . 0.0 112.305 176.095 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.1 m -106.25 138.2 42.85 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.93 -0.747 . . . . 0.0 111.867 174.094 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.61 124.62 17.95 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.624 1.57 . . . . 0.0 115.025 -175.297 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.01 156.12 41.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 127.708 2.403 . . . . 0.0 109.754 167.226 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.03 113.11 2.15 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.212 -0.93 . . . . 0.0 113.173 -173.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.85 65.11 1.49 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 126.102 1.81 . . . . 0.0 112.814 172.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.89 92.17 5.48 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.479 1.511 . . . . 0.0 111.083 -175.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.19 161.58 47.77 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.389 1.476 . . . . 0.0 113.2 -178.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -118.36 80.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.554 1.508 0 C-N-CA 123.842 3.028 . . . . 0.0 114.67 -166.123 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -139.4 59.83 15.37 Favored Pre-proline 0 CA--C 1.559 1.306 0 O-C-N 116.61 -3.806 . . . . 0.0 111.743 3.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -69.92 148.82 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.102 2.534 . . . . 0.0 111.834 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -145.58 142.58 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.13 1.372 . . . . 0.0 111.739 -176.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.9 152.2 21.57 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 110.842 174.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.1 t -84.31 66.71 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.545 1.138 . . . . 0.0 110.65 -175.629 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -137.34 145.99 52.03 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.814 1.646 . . . . 0.0 111.528 179.095 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.68 157.04 48.72 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.286 2.657 . . . . 0.0 112.391 176.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.03 154.71 66.4 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.385 2.723 . . . . 0.0 111.937 173.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 . . . . . 0 C--O 1.25 1.121 0 C-N-CA 130.167 3.387 . . . . 0.0 110.451 -1.72 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.354 0.121 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 ttt -141.33 55.36 1.53 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.313 1.445 . . . . 0.0 110.926 175.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.66 65.9 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.086 -1.009 . . . . 0.0 113.499 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -71.4 -15.44 62.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 113.996 171.291 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 61.12 169.26 0.1 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.434 2.694 . . . . 0.0 116.264 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.2 t -87.43 153.2 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.056 1.743 . . . . 0.0 108.294 175.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.07 96.34 9.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.156 1.382 . . . . 0.0 110.529 173.16 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -121.5 111.94 17.88 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 129.955 3.302 . . . . 0.0 110.395 -2.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.35 -153.41 24.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.839 1.209 . . . . 0.0 113.444 -177.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.9 p -143.19 169.2 18.05 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.023 1.329 . . . . 0.0 112.364 176.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.44 0.51 56.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.154 1.382 . . . . 0.0 113.977 178.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.47 131.24 46.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.952 0.901 . . . . 0.0 112.126 -172.245 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.85 13.26 66.07 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 124.564 1.078 . . . . 0.0 115.589 179.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.63 177.28 8.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.239 1.416 . . . . 0.0 113.045 -172.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.1 161.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.052 0.941 . . . . 0.0 111.9 165.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -68.53 141.79 55.43 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -134.18 155.26 50.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.486 1.914 . . . . 0.0 112.622 -172.409 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.62 -34.13 77.51 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 130.848 3.659 . . . . 0.0 115.573 15.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -148.47 161.59 41.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.155 2.182 . . . . 0.0 111.174 167.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -149.58 149.98 31.52 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.134 1.374 . . . . 0.0 111.226 176.479 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -121.85 11.66 10.42 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -175.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -126.33 -18.42 4.92 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.371 1.468 . . . . 0.0 114.104 -179.254 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.77 121.16 14.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.354 1.061 . . . . 0.0 110.82 170.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -157.49 172.89 17.76 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.349 1.46 . . . . 0.0 111.953 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -114.27 146.68 40.14 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.387 1.475 . . . . 0.0 111.207 170.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.39 162.57 41.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.691 1.596 . . . . 0.0 111.802 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.98 120.85 8.96 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.14 3.226 . . . . 0.0 112.269 177.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -141.16 167.1 23.0 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 114.941 -172.271 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 101.96 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.474 2.709 . . . . 0.0 109.408 -173.818 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.38 108.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 155.3 16.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.229 1.012 . . . . 0.0 110.436 164.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -105.61 151.73 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.978 0.911 . . . . 0.0 110.489 168.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.3 137.76 37.74 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.299 1.039 . . . . 0.0 111.445 173.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -104.82 124.09 48.83 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.819 1.647 . . . . 0.0 111.259 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.77 177.89 7.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.09 1.356 . . . . 0.0 111.697 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.17 -16.03 61.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.77 2.54 55.94 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.232 0.924 . . . . 0.0 112.899 171.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.04 88.68 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 125.14 1.352 . . . . 0.0 114.753 -169.272 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.87 120.05 18.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.515 1.157 . . . . 0.0 108.841 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -102.42 132.24 48.56 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.479 0.656 . . . . 0.0 112.35 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.07 160.9 32.3 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -109.96 133.28 53.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.721 1.208 . . . . 0.0 110.998 -176.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 t -121.12 109.84 35.04 Favored Pre-proline 0 N--CA 1.47 0.526 0 C-N-CA 124.376 1.071 . . . . 0.0 109.456 178.278 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.5 118.42 3.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.218 2.612 . . . . 0.0 111.13 173.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -101.39 141.38 34.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.888 1.675 . . . . 0.0 111.271 174.307 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.74 26.51 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.375 -0.828 . . . . 0.0 111.028 174.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.34 -19.97 50.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.823 1.249 . . . . 0.0 113.749 178.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.08 -12.57 61.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.872 1.269 . . . . 0.0 113.369 172.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.83 160.84 23.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.812 2.045 . . . . 0.0 112.665 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.08 141.04 50.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.06 1.344 . . . . 0.0 111.304 174.01 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -57.3 110.07 2.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 128.205 2.602 . . . . 0.0 111.677 -173.723 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.66 150.05 49.99 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.325 2.683 . . . . 0.0 110.689 168.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.95 -29.91 14.96 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.552 -179.184 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -140.33 159.76 41.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.295 1.048 . . . . 0.0 112.329 171.343 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -156.97 148.0 21.87 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.294 1.438 . . . . 0.0 112.058 -179.02 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 125.12 25.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.976 -1.078 . . . . 0.0 111.636 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.6 m -92.04 165.08 13.37 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.486 1.115 . . . . 0.0 112.736 -178.689 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -64.77 -19.47 65.83 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.06 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -67.74 -17.03 64.41 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.896 1.278 . . . . 0.0 113.0 172.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.86 13.44 60.84 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.243 1.402 . . . . 0.0 113.758 -174.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -113.29 147.48 37.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.708 1.603 . . . . 0.0 111.158 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.71 109.97 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.654 0.782 . . . . 0.0 110.301 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.12 149.39 22.98 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.422 1.01 . . . . 0.0 112.81 176.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.9 m -109.09 137.89 46.29 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.941 0.897 . . . . 0.0 112.022 174.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 122.81 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.188 1.795 . . . . 0.0 111.769 -171.033 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.84 154.9 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.83 1.652 . . . . 0.0 111.301 169.435 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -74.34 95.94 2.76 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.222 1.009 . . . . 0.0 112.222 -178.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.96 44.91 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.033 0.825 . . . . 0.0 113.846 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -159.73 143.89 14.75 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.221 2.209 . . . . 0.0 109.045 176.405 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.42 129.05 25.54 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 125.139 1.376 . . . . 0.0 111.071 176.545 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.37 -35.51 2.85 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.137 1.892 . . . . 0.0 111.575 165.325 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -141.26 79.94 17.2 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 111.842 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.94 140.76 12.91 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.034 3.156 . . . . 0.0 114.825 168.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -121.05 23.62 10.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.086 1.754 . . . . 0.0 112.619 179.394 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -59.58 113.49 2.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.487 1.115 . . . . 0.0 110.487 -175.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.297 21.0 m 47.44 30.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.471 2.308 . . . . 0.0 115.641 -171.824 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -102.0 145.43 30.48 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 125.399 1.48 . . . . 0.0 112.457 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.37 168.96 21.99 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 123.959 3.106 . . . . 0.0 113.126 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -63.53 -26.36 69.92 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.512 2.808 . . . . 0.0 114.748 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.46 1.904 . . . . 0.0 111.322 179.751 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.3 ttp -70.42 -48.96 53.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.835 0.854 . . . . 0.0 112.253 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.11 159.45 26.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.644 2.377 . . . . 0.0 108.809 169.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.76 159.54 10.84 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 130.941 3.696 . . . . 0.0 114.482 -0.131 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -126.56 76.06 1.6 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.178 1.791 . . . . 0.0 110.783 176.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t 55.24 68.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 126.893 2.077 . . . . 0.0 112.622 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.8 mt 56.42 60.62 3.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.447 2.299 . . . . 0.0 114.004 173.055 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -62.86 124.97 22.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.918 0.887 . . . . 0.0 112.124 172.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.37 151.13 16.68 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 129.996 3.665 . . . . 0.0 112.563 -8.395 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -87.0 -14.36 41.84 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.923 1.289 . . . . 0.0 114.434 -177.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.12 132.86 50.28 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.329 1.452 . . . . 0.0 111.063 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.82 159.6 41.36 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.64 1.976 . . . . 0.0 110.453 170.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.3 -3.3 24.06 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.328 1.291 . . . . 0.0 116.328 175.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.12 151.55 33.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.258 1.823 . . . . 0.0 110.638 177.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.13 144.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.391 0.676 . . . . 0.0 112.179 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 p -92.52 3.17 56.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.948 2.899 . . . . 0.0 114.792 1.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.305 52.9 p90 46.49 -160.0 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.071 2.149 . . . . 0.0 115.077 -177.444 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.31 19.0 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -173.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -70.41 158.0 36.79 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.704 -1.247 . . . . 0.0 113.101 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.85 144.5 39.26 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.513 1.125 . . . . 0.0 110.813 169.077 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -89.1 -21.74 23.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.5 1.12 . . . . 0.0 113.892 -176.357 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -112.74 -40.43 4.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.07 1.348 . . . . 0.0 112.655 -175.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -91.49 161.37 15.0 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.326 1.451 . . . . 0.0 112.567 -174.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -131.69 156.78 45.29 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.524 1.53 . . . . 0.0 111.543 175.653 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.85 149.03 50.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.526 1.53 . . . . 0.0 111.354 177.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.2 162.66 41.78 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 125.879 1.672 . . . . 0.0 111.391 178.205 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.14 141.01 86.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.483 2.789 . . . . 0.0 112.021 177.546 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -141.08 166.81 23.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -173.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 102.54 5.58 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.436 2.694 . . . . 0.0 109.238 -174.342 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.64 107.85 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.465 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.54 14.28 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.544 1.138 . . . . 0.0 110.745 166.023 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -113.02 151.17 30.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.744 1.218 . . . . 0.0 110.855 172.176 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -141.23 142.1 33.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.322 1.049 . . . . 0.0 111.689 175.76 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -109.97 124.26 51.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.973 2.109 . . . . 0.0 110.813 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -80.96 179.03 8.04 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.11 1.364 . . . . 0.0 111.633 -177.302 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.81 -16.4 62.17 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.38 3.09 55.76 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.162 0.892 . . . . 0.0 112.814 170.867 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 8.8 87.22 Favored Glycine 0 N--CA 1.469 0.899 0 C-N-CA 125.058 1.313 . . . . 0.0 114.884 -168.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.37 120.0 19.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.564 1.182 . . . . 0.0 108.666 -179.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.56 129.95 49.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.749 0.819 . . . . 0.0 112.078 -177.381 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -128.97 162.7 26.99 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.468 1.507 . . . . 0.0 112.045 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mp0 -109.92 133.95 52.62 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.682 1.193 . . . . 0.0 111.144 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.19 110.09 34.73 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.674 1.19 . . . . 0.0 109.892 178.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.91 120.12 4.96 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.53 2.82 . . . . 0.0 111.739 172.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -103.0 141.93 34.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.262 1.825 . . . . 0.0 111.554 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.56 158.68 25.69 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.403 -0.811 . . . . 0.0 111.241 175.33 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.65 -19.95 52.78 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.844 1.258 . . . . 0.0 113.758 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.98 -13.4 61.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.817 1.247 . . . . 0.0 113.353 172.281 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.83 161.79 20.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.717 2.007 . . . . 0.0 112.824 -178.302 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.13 143.14 50.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.16 1.384 . . . . 0.0 111.334 173.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.44 110.17 2.67 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 128.142 2.577 . . . . 0.0 111.488 -172.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -69.59 152.75 70.22 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.354 2.703 . . . . 0.0 111.024 168.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.86 15.66 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.802 1.191 . . . . 0.0 115.193 177.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 p -142.12 159.79 41.53 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.255 1.028 . . . . 0.0 112.886 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -157.93 148.03 20.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.227 1.411 . . . . 0.0 112.514 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 125.16 25.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.856 -1.153 . . . . 0.0 111.808 -179.694 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.97 165.73 13.06 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 -177.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -64.28 -20.31 65.98 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.042 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.17 -17.16 64.72 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.806 1.242 . . . . 0.0 113.123 173.254 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 14.48 59.13 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.194 1.378 . . . . 0.0 113.581 -174.493 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -115.07 147.54 40.04 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 111.325 178.047 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.47 110.01 3.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 110.431 174.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 148.67 21.14 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.487 1.041 . . . . 0.0 112.94 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.9 m -108.29 138.53 44.42 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.032 0.933 . . . . 0.0 111.758 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 120.97 10.68 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.666 1.586 . . . . 0.0 111.927 -172.439 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.3 156.03 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.606 1.962 . . . . 0.0 111.743 174.343 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -95.67 95.88 8.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.471 -0.768 . . . . 0.0 109.628 167.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.74 -20.19 62.06 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.071 0.788 . . . . 0.0 115.071 -175.289 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -150.08 149.39 30.24 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.517 2.327 . . . . 0.0 108.252 172.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.75 148.23 92.34 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.427 1.091 . . . . 0.0 110.972 174.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.34 43.37 1.51 Allowed 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 124.686 3.591 . . . . 0.0 112.679 -177.373 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 37.63 64.21 3.12 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 127.889 2.475 . . . . 0.0 114.368 -171.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 142.47 97.58 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.258 2.639 . . . . 0.0 114.168 -175.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -136.62 28.55 2.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 114.087 -175.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 53.43 52.95 12.43 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.604 1.961 . . . . 0.0 112.98 -178.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.76 158.89 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.913 1.285 . . . . 0.0 112.666 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.55 136.17 96.59 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.335 1.054 . . . . 0.0 110.905 175.44 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -60.72 152.44 69.42 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 122.967 2.445 . . . . 0.0 113.761 177.362 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 160.78 48.38 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 123.633 2.889 . . . . 0.0 112.663 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.4 mtp-105 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 128.418 2.687 . . . . 0.0 112.02 -1.736 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.473 0.178 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -68.64 -30.68 69.45 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.708 2.403 . . . . 0.0 112.854 -1.781 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.82 144.45 25.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.381 1.072 . . . . 0.0 110.584 161.795 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -107.35 -8.65 16.26 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 179.426 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 52.74 27.19 5.06 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 126.692 1.997 . . . . 0.0 115.532 166.623 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 51.72 35.2 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 125.986 1.714 . . . . 0.0 112.043 -172.891 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 mt 57.17 25.78 11.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.931 2.092 . . . . 0.0 114.953 -179.23 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -136.96 160.06 40.02 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.672 1.589 . . . . 0.0 112.963 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.87 166.76 28.48 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.289 0.947 . . . . 0.0 113.586 178.314 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 m -58.53 123.96 18.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.184 0.993 . . . . 0.0 111.533 179.704 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.271 16.1 ptm180 46.48 27.91 0.68 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.322 2.249 . . . . 0.0 116.006 -174.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.3 tp -74.21 -25.26 59.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.289 1.036 . . . . 0.0 113.133 -178.577 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.49 -146.12 36.83 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.979 0.8 . . . . 0.0 112.615 -173.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.16 161.54 35.44 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.104 1.361 . . . . 0.0 112.284 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.257 3.0 t 52.43 58.49 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.131 1.772 . . . . 0.0 113.072 179.251 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 p -86.98 13.9 8.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.463 1.905 . . . . 0.0 112.808 159.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -145.68 162.69 36.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.769 2.428 . . . . 0.0 111.358 -165.515 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.94 99.61 12.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.028 0.931 . . . . 0.0 110.935 178.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -79.16 42.62 0.49 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.632 1.573 . . . . 0.0 112.921 -176.547 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -129.95 113.16 14.26 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.499 1.519 . . . . 0.0 112.214 -177.481 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.27 164.48 8.8 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 130.217 3.407 . . . . 0.0 112.679 -6.106 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -59.99 144.84 48.19 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.179 0.992 . . . . 0.0 113.003 -177.374 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -78.82 -35.23 44.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.916 0.886 . . . . 0.0 112.899 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.2 173.07 14.86 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.362 1.465 . . . . 0.0 111.7 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -111.19 140.83 45.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.928 1.691 . . . . 0.0 111.187 173.249 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.18 161.68 28.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 125.556 1.542 . . . . 0.0 111.16 -179.562 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.42 89.65 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.455 2.77 . . . . 0.0 110.511 171.305 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -141.01 167.07 23.06 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.583 1.553 . . . . 0.0 114.224 -172.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.77 106.5 5.9 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 128.045 2.538 . . . . 0.0 109.717 -177.897 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.39 109.91 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 121.035 -1.041 . . . . 0.0 108.739 172.439 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 159.8 14.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.177 0.991 . . . . 0.0 110.991 166.493 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -111.91 149.35 32.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.869 1.268 . . . . 0.0 110.423 171.155 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -139.18 142.94 37.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.312 1.045 . . . . 0.0 110.911 176.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.9 125.8 53.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.319 1.847 . . . . 0.0 111.14 -178.379 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.2 p -79.45 177.89 8.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.821 1.248 . . . . 0.0 111.556 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.44 -15.97 61.82 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.164 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 1.81 55.39 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.138 0.881 . . . . 0.0 112.832 170.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.79 7.55 87.88 Favored Glycine 0 N--CA 1.469 0.863 0 C-N-CA 125.025 1.298 . . . . 0.0 114.644 -168.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.87 120.07 18.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.737 1.268 . . . . 0.0 108.787 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -102.51 129.92 49.19 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.479 0.712 . . . . 0.0 111.511 -176.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -126.8 162.72 25.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.991 1.716 . . . . 0.0 111.509 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.96 138.53 46.21 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.228 1.011 . . . . 0.0 110.684 177.337 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.1 t -123.53 110.04 30.44 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.725 1.21 . . . . 0.0 110.203 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.88 123.55 6.89 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.483 2.789 . . . . 0.0 111.703 173.067 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -108.46 143.3 37.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.393 1.877 . . . . 0.0 111.181 173.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 159.27 20.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.915 172.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.41 -19.89 57.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.49 1.116 . . . . 0.0 113.677 178.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -12.42 61.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.797 1.239 . . . . 0.0 113.288 172.206 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.62 162.54 18.22 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.837 2.055 . . . . 0.0 112.407 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -132.3 140.68 48.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.944 1.297 . . . . 0.0 111.259 173.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.1 mm -58.91 110.22 2.48 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 128.044 2.538 . . . . 0.0 111.79 -174.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.36 153.05 66.49 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.36 2.707 . . . . 0.0 111.184 168.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.94 15.62 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.893 1.235 . . . . 0.0 115.109 175.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.2 p -142.19 159.75 41.61 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.299 1.049 . . . . 0.0 113.276 174.247 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -157.02 147.91 21.72 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.914 1.286 . . . . 0.0 112.642 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 124.79 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.039 -1.038 . . . . 0.0 111.566 -178.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.24 163.5 13.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.741 1.216 . . . . 0.0 112.911 -177.571 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -69.1 -12.26 61.52 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -174.561 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.24 -17.12 64.22 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.199 1.0 . . . . 0.0 112.759 167.51 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.91 14.21 58.18 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.436 1.493 . . . . 0.0 113.743 -174.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -115.63 148.8 39.23 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 177.563 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -62.84 110.08 1.65 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.038 0.935 . . . . 0.0 110.285 171.14 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.46 146.74 21.03 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.205 0.907 . . . . 0.0 112.1 173.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.1 m -105.16 140.2 38.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.753 -0.851 . . . . 0.0 111.42 172.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.72 122.22 13.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.364 1.466 . . . . 0.0 112.22 -178.278 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.68 154.44 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.399 1.48 . . . . 0.0 112.331 178.43 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -134.43 133.36 40.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.315 1.446 . . . . 0.0 110.441 173.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.1 -32.35 0.11 Allowed Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.363 0.982 . . . . 0.0 113.579 174.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -141.32 128.96 21.49 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.64 1.976 . . . . 0.0 107.372 166.458 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -130.12 153.83 81.19 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.096 1.359 . . . . 0.0 112.044 -175.468 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.27 67.57 6.94 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 124.342 3.361 . . . . 0.0 112.109 -179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 42.07 59.82 9.62 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 128.895 2.878 . . . . 0.0 115.922 178.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -90.85 59.66 1.3 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.455 2.103 . . . . 0.0 110.149 169.546 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -169.84 161.93 9.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.038 2.135 . . . . 0.0 110.65 -176.561 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -64.44 176.51 1.07 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.309 1.044 . . . . 0.0 112.082 160.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.57 60.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.751 1.62 . . . . 0.0 113.408 -179.076 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -138.32 142.58 35.59 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 127.317 2.247 . . . . 0.0 109.614 -177.186 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -49.81 139.11 32.94 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.4 2.734 . . . . 0.0 114.259 -175.676 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -82.21 7.06 44.89 Favored 'Cis proline' 0 CA--C 1.546 1.075 0 N-CA-C 115.149 1.173 . . . . 0.0 115.149 8.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? . . . . . 0 C--O 1.252 1.184 0 C-N-CA 125.952 1.701 . . . . 0.0 112.334 176.922 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -127.52 -43.42 1.59 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.958 1.303 . . . . 0.0 113.762 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.42 -5.57 2.29 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 -170.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -78.51 -25.15 45.53 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 116.343 -3.973 . . . . 0.0 114.267 7.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -137.89 154.55 49.44 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.049 1.34 . . . . 0.0 113.8 -173.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t 52.48 23.5 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 127.272 2.229 . . . . 0.0 114.206 175.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt 56.5 6.72 0.3 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 127.078 2.151 . . . . 0.0 115.61 -168.36 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -141.38 39.88 1.74 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 127.042 2.137 . . . . 0.0 111.861 -170.234 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.32 0.4 85.49 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.906 1.241 . . . . 0.0 115.471 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -68.56 154.65 41.48 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.556 1.142 . . . . 0.0 113.387 -177.041 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.63 -15.85 61.25 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.782 171.092 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.63 141.85 54.14 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.26 1.424 . . . . 0.0 112.037 176.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.98 42.12 1.11 Allowed Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.822 1.677 . . . . 0.0 115.286 179.292 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.28 52.53 1.13 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.287 1.835 . . . . 0.0 112.842 -177.329 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.07 155.13 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.445 1.498 . . . . 0.0 112.602 -177.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -138.9 31.51 2.22 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.718 1.207 . . . . 0.0 112.909 -176.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -156.26 168.18 28.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.386 1.874 . . . . 0.0 111.175 -171.303 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.92 103.85 2.35 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.934 0.894 . . . . 0.0 111.388 -179.774 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -155.14 168.35 27.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.641 . . . . 0.0 111.248 178.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -144.22 153.59 42.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.165 1.386 . . . . 0.0 111.596 175.639 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -137.5 -19.59 1.22 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.418 1.487 . . . . 0.0 114.837 -168.08 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -134.01 145.34 49.37 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.37 1.068 . . . . 0.0 112.322 -173.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 m170 55.15 -169.95 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.46 1.504 . . . . 0.0 112.916 -165.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.66 156.76 36.13 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.029 -1.044 . . . . 0.0 112.274 169.505 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.22 102.35 5.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.671 0.788 . . . . 0.0 110.962 -173.34 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.2 153.13 30.68 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.381 1.472 . . . . 0.0 111.78 178.251 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -69.51 128.09 15.75 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.32 2.68 . . . . 0.0 111.667 177.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -141.02 164.97 28.84 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.125 1.77 . . . . 0.0 113.76 177.649 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.49 101.95 6.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 127.446 2.298 . . . . 0.0 109.736 -172.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.76 107.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.327 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.96 13.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.321 1.048 . . . . 0.0 109.978 167.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -116.97 155.77 28.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.875 0.87 . . . . 0.0 110.172 168.108 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.106 0.962 . . . . 0.0 111.779 176.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -104.39 124.0 48.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.873 1.669 . . . . 0.0 111.753 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -77.36 177.79 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.29 1.436 . . . . 0.0 111.783 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.74 -16.23 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.683 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.82 1.5 55.17 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.082 0.856 . . . . 0.0 112.687 171.303 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.58 7.29 87.66 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.126 1.346 . . . . 0.0 114.723 -168.661 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.91 119.18 18.73 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.814 1.307 . . . . 0.0 108.627 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -102.56 130.89 49.55 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.555 0.742 . . . . 0.0 112.002 -177.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.0 163.29 26.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.568 1.547 . . . . 0.0 112.087 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.97 134.3 52.25 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.441 1.496 . . . . 0.0 110.108 -175.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.62 110.08 30.23 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 124.383 1.073 . . . . 0.0 109.798 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.32 124.67 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.647 2.898 . . . . 0.0 111.757 173.425 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -111.02 140.31 45.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.163 1.785 . . . . 0.0 111.96 176.247 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.32 160.94 25.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 0.0 111.547 175.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.91 -19.83 53.89 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.756 1.222 . . . . 0.0 113.747 178.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.03 -12.58 61.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.922 1.289 . . . . 0.0 113.211 173.003 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.53 159.86 29.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.487 1.915 . . . . 0.0 112.688 -179.188 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -132.0 136.97 47.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.143 1.377 . . . . 0.0 110.747 176.139 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.35 110.02 1.97 Allowed Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 127.502 2.321 . . . . 0.0 111.626 -171.348 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.3 149.28 56.87 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.213 2.608 . . . . 0.0 110.765 170.627 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.62 -29.94 12.86 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.615 1.579 . . . . 0.0 115.364 -179.359 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.9 p -139.99 159.74 41.49 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.216 1.008 . . . . 0.0 112.288 170.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.92 148.06 22.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.538 1.535 . . . . 0.0 112.097 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.71 123.98 22.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.913 -1.117 . . . . 0.0 111.73 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.07 166.46 13.41 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.64 1.176 . . . . 0.0 112.849 -178.266 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -67.93 -17.17 64.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.237 1.015 . . . . 0.0 113.707 -175.297 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.05 -17.1 63.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.091 1.356 . . . . 0.0 113.33 169.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.95 16.37 56.27 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.125 1.345 . . . . 0.0 113.89 -175.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -116.51 149.14 40.05 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.141 1.377 . . . . 0.0 111.369 176.515 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.84 110.01 3.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.604 0.762 . . . . 0.0 110.549 174.211 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.9 150.36 22.97 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.69 1.138 . . . . 0.0 112.921 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.2 m -108.71 137.81 46.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.837 0.855 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 121.65 12.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.333 1.853 . . . . 0.0 112.041 -169.708 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.87 156.06 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.443 1.897 . . . . 0.0 110.236 167.1 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.01 129.07 38.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.161 -0.962 . . . . 0.0 113.16 -178.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.31 -70.18 0.21 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.204 1.383 . . . . 0.0 112.977 167.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -144.21 33.61 1.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.818 1.247 . . . . 0.0 112.463 -169.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.49 130.65 94.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.725 1.21 . . . . 0.0 111.445 -175.734 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -80.54 41.25 1.1 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.166 3.244 . . . . 0.0 111.595 171.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 39.39 59.91 6.11 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 127.877 2.471 . . . . 0.0 114.348 -170.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.21 157.08 50.73 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.165 2.577 . . . . 0.0 112.38 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.8 130.74 44.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.21 1.004 . . . . 0.0 110.993 175.267 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -146.74 39.83 1.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.459 1.104 . . . . 0.0 113.265 174.654 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.13 155.64 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 127.464 2.306 . . . . 0.0 109.613 175.617 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 49.89 73.19 1.03 Allowed Pre-proline 0 N--CA 1.482 1.142 0 C-N-CA 125.616 1.566 . . . . 0.0 114.354 173.138 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -75.66 156.64 99.12 Favored 'Cis proline' 0 CA--C 1.544 1.012 0 CA-C-N 119.883 0.994 . . . . 0.0 114.473 4.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -63.54 147.31 93.14 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.306 2.671 . . . . 0.0 112.064 174.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.157 1.783 . . . . 0.0 111.93 -169.281 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.3 ttp -148.86 -44.75 0.15 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.181 . . . . 0.0 113.43 179.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.65 20.66 2.52 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.09 1.356 . . . . 0.0 112.903 -175.429 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.53 -29.73 61.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.243 1.417 . . . . 0.0 113.791 -164.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 58.54 168.03 0.05 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.743 2.417 . . . . 0.0 115.119 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.3 15.9 m 50.01 26.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 128.061 2.544 . . . . 0.0 116.245 179.443 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.39 139.98 54.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.476 1.11 . . . . 0.0 111.734 -178.226 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -151.48 159.37 44.2 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.494 1.518 . . . . 0.0 112.589 -175.864 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.79 44.0 2.24 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.548 1.546 . . . . 0.0 114.357 176.299 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t -150.81 177.18 10.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.828 1.651 . . . . 0.0 111.744 -176.251 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -75.49 74.44 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.16 1.784 . . . . 0.0 111.563 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.89 149.2 47.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.209 1.804 . . . . 0.0 112.329 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.89 -158.75 39.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.657 1.122 . . . . 0.0 113.781 -178.653 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 149.62 48.43 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.926 0.89 . . . . 0.0 112.548 178.347 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.75 155.31 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.24 1.416 . . . . 0.0 113.027 -174.442 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.55 142.29 26.73 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.869 1.668 . . . . 0.0 109.909 170.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -153.5 -39.99 0.1 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -172.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.29 -43.42 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.271 2.228 . . . . 0.0 110.981 174.302 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m 54.07 86.78 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.204 2.602 . . . . 0.0 114.213 156.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.14 149.89 49.03 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.46 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -123.31 3.48 9.16 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 130.227 3.411 . . . . 0.0 115.831 8.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -144.54 -49.24 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -134.14 157.77 45.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 131.552 3.941 . . . . 0.0 111.104 -1.59 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.47 149.27 26.75 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.124 0.97 . . . . 0.0 112.754 174.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.6 mt -97.77 70.01 2.16 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.32 1.048 . . . . 0.0 111.771 -171.731 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.24 134.74 10.03 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.727 1.611 . . . . 0.0 111.418 177.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -71.1 72.72 2.09 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.127 3.218 . . . . 0.0 112.969 172.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -141.08 166.32 25.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.213 1.561 . . . . 0.0 115.213 -177.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.44 102.53 4.98 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.511 2.724 . . . . 0.0 109.398 -174.043 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.37 108.44 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 173.464 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 160.02 14.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.645 1.178 . . . . 0.0 110.784 167.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.02 150.85 28.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.593 1.157 . . . . 0.0 110.698 170.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.51 142.64 37.26 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.443 1.097 . . . . 0.0 111.252 174.647 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -110.11 126.84 54.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 111.047 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.9 p -79.32 176.79 9.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 111.495 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -78.42 -11.61 59.96 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.47 -0.768 . . . . 0.0 112.468 -178.512 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -97.78 11.94 35.54 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.354 1.862 . . . . 0.0 111.631 175.897 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.38 1.17 89.96 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 126.388 1.947 . . . . 0.0 115.051 -178.159 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -84.81 120.1 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.584 0.692 . . . . 0.0 110.141 -167.216 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -102.46 129.0 48.83 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.387 0.675 . . . . 0.0 111.496 -174.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.98 162.67 28.14 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.575 1.55 . . . . 0.0 112.248 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -110.0 136.67 48.9 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.727 1.211 . . . . 0.0 112.081 -177.15 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.77 110.02 22.47 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.673 1.189 . . . . 0.0 110.669 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -73.9 126.22 10.5 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.933 3.089 . . . . 0.0 111.887 169.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.18 142.9 41.08 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.588 1.955 . . . . 0.0 111.315 171.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 158.01 22.11 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.414 -0.803 . . . . 0.0 111.375 175.576 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.01 -19.93 55.11 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.125 1.37 . . . . 0.0 113.825 -176.509 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.82 -12.28 60.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.84 160.5 16.7 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.91 2.084 . . . . 0.0 112.224 175.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.84 141.61 49.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.726 1.21 . . . . 0.0 111.104 172.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.89 110.12 2.19 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 127.889 2.475 . . . . 0.0 111.28 -173.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.59 150.14 56.58 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.318 2.679 . . . . 0.0 110.499 169.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.92 15.43 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.378 1.466 . . . . 0.0 115.229 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.96 159.6 41.81 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.196 0.998 . . . . 0.0 112.544 171.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.6 t-105 -157.13 148.04 21.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.393 1.477 . . . . 0.0 112.272 -179.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 125.33 26.1 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.869 -1.145 . . . . 0.0 111.815 -178.834 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.9 m -94.34 165.89 12.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.608 1.163 . . . . 0.0 113.013 -178.096 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -66.23 -18.89 65.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -68.69 -17.13 64.02 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.614 0.766 . . . . 0.0 112.825 171.701 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 13.99 57.99 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.478 1.513 . . . . 0.0 114.092 -176.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 tpp -110.86 144.77 39.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.374 1.869 . . . . 0.0 110.304 175.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -61.8 110.07 1.42 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.872 0.844 . . . . 0.0 110.965 169.111 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.05 148.75 23.48 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.656 1.122 . . . . 0.0 112.332 175.164 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.4 m -106.08 139.06 41.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 111.382 173.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 121.68 12.43 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.602 1.561 . . . . 0.0 111.062 -174.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.23 156.0 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.745 1.618 . . . . 0.0 112.025 175.897 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -86.44 152.81 22.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.744 0.818 . . . . 0.0 111.241 167.263 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -10.82 60.27 Favored Glycine 0 CA--C 1.541 1.701 0 N-CA-C 115.776 1.07 . . . . 0.0 115.776 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 54.63 46.48 24.67 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.102 1.761 . . . . 0.0 114.407 174.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.25 149.35 97.94 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.225 1.01 . . . . 0.0 111.173 175.316 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -79.61 44.5 1.72 Allowed 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 124.785 3.657 . . . . 0.0 112.644 -178.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 35.07 60.0 2.44 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 128.15 2.58 . . . . 0.0 114.684 -172.331 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.68 144.81 55.66 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.231 2.621 . . . . 0.0 112.572 -176.492 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -86.43 -13.77 45.25 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -179.519 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.01 131.51 46.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.864 1.266 . . . . 0.0 111.804 -174.488 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.95 142.74 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.166 1.387 . . . . 0.0 112.465 173.659 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -131.73 59.97 48.65 Favored Pre-proline 0 N--CA 1.484 1.272 1 C-N-CA 132.059 4.144 . . . . 0.0 111.229 11.55 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.06 154.06 32.76 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.367 2.711 . . . . 0.0 113.313 -169.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -84.63 -18.0 4.87 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.903 3.069 . . . . 0.0 114.577 178.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.812 1.645 . . . . 0.0 112.142 -176.731 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mm -88.81 107.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.92 164.53 12.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.88 0.872 . . . . 0.0 111.291 170.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -116.27 152.95 32.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.986 1.314 . . . . 0.0 110.553 168.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -141.39 141.56 33.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.171 0.988 . . . . 0.0 111.646 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -108.06 122.99 48.01 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.11 1.764 . . . . 0.0 111.041 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -76.72 177.77 7.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.039 1.335 . . . . 0.0 111.668 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.45 -16.96 61.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.77 4.7 46.59 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.082 0.855 . . . . 0.0 112.515 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.27 2.16 90.54 Favored Glycine 0 N--CA 1.47 0.928 0 C-N-CA 124.777 1.18 . . . . 0.0 114.598 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.69 120.11 16.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.196 0.998 . . . . 0.0 108.868 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.39 134.16 46.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.384 0.611 . . . . 0.0 111.373 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 94.2 m-85 -129.03 163.75 24.72 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.343 1.457 . . . . 0.0 111.585 177.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 135.86 50.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.39 110.03 28.66 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 124.928 1.291 . . . . 0.0 110.408 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -70.92 130.04 17.29 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.231 3.287 . . . . 0.0 111.587 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -115.93 141.97 47.4 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.239 1.815 . . . . 0.0 111.0 171.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.9 162.55 20.47 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.264 -0.897 . . . . 0.0 111.758 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -59.51 -20.63 56.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.254 1.022 . . . . 0.0 113.587 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.01 -11.22 60.67 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.868 1.267 . . . . 0.0 113.478 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.79 171.55 12.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.663 1.985 . . . . 0.0 113.177 -174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.09 171.13 13.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.697 1.999 . . . . 0.0 111.382 171.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -88.7 110.02 34.12 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 127.424 2.29 . . . . 0.0 109.928 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.26 151.53 60.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.575 2.85 . . . . 0.0 110.673 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -29.91 15.51 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.58 1.562 . . . . 0.0 115.149 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.7 p -139.98 159.43 42.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.319 1.059 . . . . 0.0 112.47 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -157.68 148.03 20.74 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.635 1.574 . . . . 0.0 111.837 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.6 125.76 27.69 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.919 -1.113 . . . . 0.0 111.832 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.1 m -89.72 160.8 16.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.43 1.092 . . . . 0.0 112.215 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -66.41 -15.68 63.5 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.0 -17.12 64.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.87 1.268 . . . . 0.0 112.824 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.45 11.64 60.64 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.491 1.519 . . . . 0.0 113.646 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -114.47 147.31 39.52 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.541 1.136 . . . . 0.0 111.836 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.45 110.03 2.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.058 0.943 . . . . 0.0 111.16 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.52 148.94 20.83 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.639 1.114 . . . . 0.0 112.604 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.0 m -107.5 138.82 43.02 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.709 -0.877 . . . . 0.0 111.659 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 125.596 1.559 . . . . 0.0 111.399 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.13 106.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 157.73 15.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.819 0.847 . . . . 0.0 110.634 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -112.72 149.73 32.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.631 1.172 . . . . 0.0 110.528 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.81 142.47 34.63 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.49 1.116 . . . . 0.0 111.559 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -109.86 125.83 53.19 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.317 1.847 . . . . 0.0 111.13 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -79.41 178.54 8.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.048 1.339 . . . . 0.0 111.841 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.59 -16.58 61.73 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.75 2.71 54.51 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.15 0.886 . . . . 0.0 112.8 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 7.49 88.32 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.064 1.316 . . . . 0.0 114.694 -168.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.02 119.98 18.98 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.601 1.2 . . . . 0.0 108.572 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -102.46 131.01 49.41 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.662 0.785 . . . . 0.0 111.587 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -130.03 163.78 25.75 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.443 1.497 . . . . 0.0 112.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -109.9 136.84 48.55 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.731 1.213 . . . . 0.0 111.917 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -125.51 110.02 25.98 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.403 1.481 . . . . 0.0 110.047 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.71 130.05 16.44 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.238 3.292 . . . . 0.0 111.97 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -116.9 144.04 44.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.437 1.895 . . . . 0.0 111.355 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.15 159.43 20.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.222 -0.923 . . . . 0.0 111.381 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.08 -19.95 62.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.26 -12.94 61.38 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.921 1.288 . . . . 0.0 113.433 171.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.5 172.88 7.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.13 2.172 . . . . 0.0 112.699 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -131.1 165.84 22.37 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.995 1.718 . . . . 0.0 110.766 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -87.2 110.03 30.17 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 127.374 2.27 . . . . 0.0 109.516 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.38 151.69 60.03 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.488 2.792 . . . . 0.0 110.512 168.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.8 15.56 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.392 1.472 . . . . 0.0 115.073 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.9 p -140.05 159.4 42.27 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.154 0.977 . . . . 0.0 112.579 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -157.75 148.09 20.68 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.615 1.566 . . . . 0.0 111.748 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 126.3 28.9 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.894 -1.129 . . . . 0.0 111.716 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 63.1 m -91.19 165.48 13.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.501 1.12 . . . . 0.0 112.658 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -68.03 -16.53 64.08 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.329 1.052 . . . . 0.0 113.818 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.77 -17.13 63.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.084 1.354 . . . . 0.0 113.254 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.27 60.92 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.116 1.341 . . . . 0.0 113.796 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.7 148.57 34.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.089 1.355 . . . . 0.0 111.233 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 110.05 3.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.808 0.843 . . . . 0.0 110.356 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.76 148.72 21.92 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.526 1.06 . . . . 0.0 112.775 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.4 m -106.88 138.49 42.95 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.861 0.864 . . . . 0.0 111.58 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 125.57 1.548 . . . . 0.0 111.055 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.481 0.657 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.73 110.0 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 120.824 -1.173 . . . . 0.0 108.451 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 163.39 12.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.687 1.195 . . . . 0.0 111.326 166.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -113.97 149.54 35.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.165 1.386 . . . . 0.0 110.624 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.14 142.92 38.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.078 0.951 . . . . 0.0 111.287 175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -109.04 124.88 51.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.72 2.008 . . . . 0.0 111.074 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -80.4 178.95 7.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.201 1.4 . . . . 0.0 111.54 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.69 -16.56 61.68 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.09 2.88 54.76 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.165 0.893 . . . . 0.0 112.781 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.59 7.82 88.16 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.154 1.359 . . . . 0.0 114.772 -168.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.57 120.11 18.72 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.472 1.136 . . . . 0.0 108.498 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.56 132.43 48.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.323 0.649 . . . . 0.0 112.013 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.35 163.16 26.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.443 1.497 . . . . 0.0 112.054 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 136.05 49.84 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.793 1.237 . . . . 0.0 111.509 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.13 109.98 27.05 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.217 1.407 . . . . 0.0 110.891 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -73.76 123.0 8.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.913 3.075 . . . . 0.0 111.996 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -105.33 142.84 34.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.413 1.885 . . . . 0.0 111.144 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.18 159.65 20.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.313 -0.867 . . . . 0.0 110.962 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.87 -19.88 60.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.262 1.025 . . . . 0.0 113.59 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.98 -12.3 61.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.76 1.224 . . . . 0.0 113.214 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.68 167.38 11.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.106 2.162 . . . . 0.0 112.088 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -135.89 148.0 48.4 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.815 1.246 . . . . 0.0 111.469 170.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -62.74 110.13 3.11 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 128.015 2.526 . . . . 0.0 111.631 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.87 150.46 55.45 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.352 2.701 . . . . 0.0 110.86 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.81 15.49 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.594 1.568 . . . . 0.0 115.173 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.97 159.38 42.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.122 0.961 . . . . 0.0 112.937 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.11 148.06 21.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.056 1.342 . . . . 0.0 112.343 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 125.16 25.8 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.946 -1.096 . . . . 0.0 111.687 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.8 m -91.46 165.75 13.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.599 1.159 . . . . 0.0 112.867 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -68.55 -16.37 63.85 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.64 -17.09 64.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.057 1.343 . . . . 0.0 113.173 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 13.35 60.71 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.172 1.368 . . . . 0.0 113.82 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.5 148.67 33.97 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.041 1.336 . . . . 0.0 111.258 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.24 110.01 2.87 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.857 0.863 . . . . 0.0 110.205 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.35 148.48 21.34 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.385 0.993 . . . . 0.0 112.501 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 m -106.3 140.25 39.53 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.787 -0.831 . . . . 0.0 111.559 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.11 1.364 . . . . 0.0 112.049 -177.663 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 121.26 0.552 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.4 mp -88.5 103.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.99 26.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.321 1.049 . . . . 0.0 110.89 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -94.2 151.56 19.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.482 0.713 . . . . 0.0 111.539 174.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -140.52 141.25 35.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.573 1.149 . . . . 0.0 111.589 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -108.29 124.89 51.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.502 1.921 . . . . 0.0 110.99 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -77.67 177.7 7.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.215 1.406 . . . . 0.0 111.333 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.84 -10.49 59.81 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.438 -0.789 . . . . 0.0 112.674 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -99.43 12.12 37.24 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.46 1.904 . . . . 0.0 111.527 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.78 1.21 89.26 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 126.413 1.959 . . . . 0.0 115.096 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.83 120.26 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.483 0.641 . . . . 0.0 109.954 -167.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -102.5 128.4 49.15 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.413 0.625 . . . . 0.0 111.772 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.33 160.78 29.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.641 1.576 . . . . 0.0 111.487 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -110.28 132.58 54.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.478 1.511 . . . . 0.0 111.221 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.78 110.09 29.88 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 125.503 1.521 . . . . 0.0 110.689 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.43 130.04 16.74 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.049 3.166 . . . . 0.0 113.019 170.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -117.77 142.26 47.48 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.185 2.194 . . . . 0.0 111.455 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.16 163.12 18.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.958 0.903 . . . . 0.0 111.356 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.55 -19.94 58.86 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.199 -0.938 . . . . 0.0 113.387 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.95 -10.6 60.01 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.72 1.208 . . . . 0.0 113.093 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.4 160.49 28.06 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.649 1.98 . . . . 0.0 112.493 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.92 139.48 50.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 110.797 172.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.11 110.07 1.89 Allowed Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 127.777 2.431 . . . . 0.0 111.385 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.71 149.81 55.33 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.149 2.566 . . . . 0.0 110.519 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.87 15.14 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.514 1.53 . . . . 0.0 115.19 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -140.04 159.69 41.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.111 0.955 . . . . 0.0 112.339 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -157.21 148.07 21.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.532 1.533 . . . . 0.0 112.008 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 125.91 28.14 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.866 -1.146 . . . . 0.0 111.972 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -92.67 163.97 13.57 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.67 1.188 . . . . 0.0 112.77 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -68.35 -14.98 63.38 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.73 -17.14 64.0 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.506 0.67 . . . . 0.0 112.649 169.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.95 58.31 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.59 1.566 . . . . 0.0 113.912 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.7 tpp -109.91 148.34 31.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.102 1.761 . . . . 0.0 111.179 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.4 110.04 3.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.574 0.75 . . . . 0.0 110.06 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.44 22.69 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.638 1.113 . . . . 0.0 112.559 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.6 m -106.67 139.27 41.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.758 0.823 . . . . 0.0 111.426 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.348 1.459 . . . . 0.0 110.964 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 121.549 0.69 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.41 107.41 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 124.211 1.004 . . . . 0.0 108.675 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 161.99 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.675 1.19 . . . . 0.0 110.497 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -114.02 153.97 28.46 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.567 1.147 . . . . 0.0 110.027 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -140.94 138.46 33.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.038 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -104.15 124.23 48.71 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.603 1.961 . . . . 0.0 110.982 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -80.06 178.81 7.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.939 1.296 . . . . 0.0 111.735 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.09 -16.58 61.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.77 2.4 54.93 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.165 0.893 . . . . 0.0 112.694 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.49 8.92 87.06 Favored Glycine 0 C--N 1.341 0.82 0 C-N-CA 125.176 1.37 . . . . 0.0 114.807 -168.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 119.59 18.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.235 . . . . 0.0 108.491 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -102.54 128.48 49.16 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.823 0.849 . . . . 0.0 111.823 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.73 163.29 23.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.273 1.429 . . . . 0.0 111.61 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.97 136.53 49.1 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.276 1.03 . . . . 0.0 110.582 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.4 109.92 30.76 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.797 1.239 . . . . 0.0 109.716 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.15 126.02 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.36 2.707 . . . . 0.0 111.547 172.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -110.18 141.53 42.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.37 1.868 . . . . 0.0 111.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.03 158.78 26.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.662 0.785 . . . . 0.0 111.181 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.39 -19.93 50.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.985 1.314 . . . . 0.0 113.746 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.99 -13.13 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.819 1.248 . . . . 0.0 113.412 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.69 160.22 26.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.684 1.994 . . . . 0.0 112.62 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -131.25 142.41 50.14 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.06 1.344 . . . . 0.0 111.315 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.3 110.01 2.25 Favored Pre-proline 0 N--CA 1.471 0.597 0 C-N-CA 128.026 2.53 . . . . 0.0 111.701 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -72.07 149.8 53.12 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.284 2.656 . . . . 0.0 110.725 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.94 -29.92 14.91 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.718 1.628 . . . . 0.0 115.378 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 p -139.99 159.61 41.79 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.103 0.951 . . . . 0.0 112.351 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -157.68 148.11 20.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.581 1.552 . . . . 0.0 111.907 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 125.19 25.78 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.883 -1.136 . . . . 0.0 111.863 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.17 165.7 14.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.621 1.168 . . . . 0.0 112.606 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -67.98 -17.05 64.31 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -68.63 -17.13 64.05 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.18 1.392 . . . . 0.0 113.31 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.0 14.69 58.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.148 1.356 . . . . 0.0 113.812 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.29 148.57 37.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.043 1.337 . . . . 0.0 111.284 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.94 110.04 3.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.84 0.856 . . . . 0.0 110.468 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.3 150.65 22.12 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.775 1.178 . . . . 0.0 112.974 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -109.61 138.36 46.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.922 0.889 . . . . 0.0 112.073 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 126.035 1.734 . . . . 0.0 112.24 -170.22 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.4 mm -96.11 103.72 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.74 166.94 11.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.417 0.687 . . . . 0.0 110.228 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -123.72 152.67 41.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.032 0.933 . . . . 0.0 111.391 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -141.52 138.71 32.94 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.667 1.187 . . . . 0.0 112.631 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -104.14 124.09 48.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.8 2.04 . . . . 0.0 111.499 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -79.24 178.36 8.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.06 1.344 . . . . 0.0 111.781 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.78 -16.74 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.11 2.95 54.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.218 0.917 . . . . 0.0 112.708 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.01 87.05 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.17 1.367 . . . . 0.0 114.813 -169.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.04 119.64 19.48 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.541 1.171 . . . . 0.0 108.434 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -102.56 130.73 49.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.459 0.704 . . . . 0.0 112.203 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.66 163.2 24.77 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.96 1.704 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -109.9 137.69 47.34 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -127.03 110.04 21.78 Favored Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 125.61 1.564 . . . . 0.0 110.366 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -68.81 130.07 19.82 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.225 3.283 . . . . 0.0 113.09 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -120.0 148.35 43.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.055 2.142 . . . . 0.0 111.206 171.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.15 156.8 18.57 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.835 -1.166 . . . . 0.0 110.885 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 -19.99 63.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.099 -1.001 . . . . 0.0 113.603 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.89 -16.83 61.1 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.82 1.248 . . . . 0.0 113.213 172.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.56 177.46 4.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.784 2.034 . . . . 0.0 112.178 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -133.07 165.28 25.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.814 1.646 . . . . 0.0 111.369 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -91.17 107.37 20.79 Favored Pre-proline 0 N--CA 1.47 0.536 0 C-N-CA 126.69 1.996 . . . . 0.0 108.794 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.54 151.1 70.26 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.117 2.544 . . . . 0.0 110.167 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.65 -29.89 13.03 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.563 1.554 . . . . 0.0 115.031 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.4 p -139.97 159.37 42.32 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.261 1.031 . . . . 0.0 112.429 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -157.03 148.11 21.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.87 1.668 . . . . 0.0 111.578 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 126.69 30.32 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.987 -1.071 . . . . 0.0 111.767 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.3 m -90.93 165.16 13.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.648 1.179 . . . . 0.0 112.846 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -69.45 -13.53 62.4 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.4 -17.14 63.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.018 1.327 . . . . 0.0 113.095 168.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 13.05 61.23 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.005 1.288 . . . . 0.0 113.782 -174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.6 148.83 33.77 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 111.372 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.14 110.12 3.32 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.834 0.854 . . . . 0.0 110.446 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.91 149.82 21.83 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.877 1.227 . . . . 0.0 113.038 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.6 m -108.86 137.83 46.16 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.914 0.885 . . . . 0.0 112.081 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 126.272 1.829 . . . . 0.0 111.899 -170.048 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mm -86.23 106.82 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.89 160.86 14.12 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.574 -0.704 . . . . 0.0 111.4 172.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -113.44 148.59 35.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.154 1.382 . . . . 0.0 110.26 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -139.5 142.72 37.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.01 0.924 . . . . 0.0 111.346 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -108.75 124.73 51.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.639 1.576 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 p -78.85 178.03 8.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.126 1.37 . . . . 0.0 111.681 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.68 -16.6 61.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.79 2.29 53.78 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.225 0.92 . . . . 0.0 112.66 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.42 4.31 89.44 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 125.308 1.432 . . . . 0.0 114.853 -169.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.58 120.15 17.79 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.236 . . . . 0.0 109.074 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -102.49 133.73 46.98 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.202 0.601 . . . . 0.0 111.681 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -128.69 163.02 26.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.147 1.379 . . . . 0.0 111.935 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.02 134.66 51.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.132 1.373 . . . . 0.0 110.59 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 t -125.65 110.02 25.61 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.604 1.562 . . . . 0.0 110.69 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -69.0 130.06 19.57 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.003 3.135 . . . . 0.0 112.371 169.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.14 140.07 47.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.085 1.754 . . . . 0.0 111.275 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.73 164.58 19.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.843 0.857 . . . . 0.0 112.137 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.19 -26.25 27.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.523 1.529 . . . . 0.0 113.839 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.76 -13.85 61.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.355 1.862 . . . . 0.0 114.019 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.69 161.35 31.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.778 1.631 . . . . 0.0 113.73 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -132.01 152.32 51.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.97 1.308 . . . . 0.0 112.602 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.0 110.19 4.28 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 129.369 3.068 . . . . 0.0 112.338 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.68 152.29 69.72 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.416 2.744 . . . . 0.0 111.4 166.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.14 -29.82 15.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.191 1.377 . . . . 0.0 115.328 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.8 p -141.55 160.2 40.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.466 1.106 . . . . 0.0 113.043 173.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -157.28 148.04 21.41 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 112.595 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 123.92 22.4 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.856 -1.153 . . . . 0.0 111.735 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.8 m -88.87 166.2 14.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.492 1.117 . . . . 0.0 112.516 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -20.72 65.22 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.203 1.001 . . . . 0.0 112.608 -174.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -65.09 -17.1 64.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.174 1.39 . . . . 0.0 113.245 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.19 59.6 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.203 1.383 . . . . 0.0 113.733 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.04 148.71 36.57 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.88 1.272 . . . . 0.0 111.565 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.91 110.0 1.96 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 111.195 172.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.84 147.32 19.27 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.423 1.011 . . . . 0.0 112.482 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -106.75 139.78 40.65 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.839 -0.801 . . . . 0.0 111.615 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 125.24 1.416 . . . . 0.0 112.551 -175.787 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.64 105.23 15.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 124.006 0.923 . . . . 0.0 108.741 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.07 152.32 18.88 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.487 0.715 . . . . 0.0 110.457 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -104.86 150.99 24.37 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.097 0.959 . . . . 0.0 110.619 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -141.46 142.82 33.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.756 1.222 . . . . 0.0 110.886 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -110.04 125.77 53.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -80.87 178.34 8.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.848 1.259 . . . . 0.0 111.898 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.18 -16.17 61.96 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.55 2.9 56.12 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.165 0.893 . . . . 0.0 112.787 171.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.92 8.72 87.14 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 124.933 1.254 . . . . 0.0 114.581 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.21 120.02 20.13 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.779 1.289 . . . . 0.0 108.574 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -102.53 131.25 49.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.538 0.735 . . . . 0.0 111.241 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -129.84 164.25 24.53 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.421 1.488 . . . . 0.0 112.328 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -109.87 134.03 52.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.763 1.225 . . . . 0.0 110.63 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.02 110.03 40.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 125.13 1.372 . . . . 0.0 109.247 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.56 128.83 13.03 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.282 2.655 . . . . 0.0 111.082 172.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.582 1.553 . . . . 0.0 111.302 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.57 158.79 25.65 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.142 -0.974 . . . . 0.0 111.349 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.87 -19.94 54.24 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.286 1.034 . . . . 0.0 113.752 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.49 -12.82 60.31 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.064 1.345 . . . . 0.0 113.504 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.16 173.68 6.65 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.047 2.139 . . . . 0.0 112.806 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.14 167.32 20.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.113 1.765 . . . . 0.0 111.644 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.35 110.03 37.86 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 127.015 2.126 . . . . 0.0 109.875 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.45 151.7 53.78 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.614 2.876 . . . . 0.0 110.789 168.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.88 15.24 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.656 1.598 . . . . 0.0 115.23 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -140.04 159.29 42.5 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.292 1.046 . . . . 0.0 112.514 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -157.83 147.96 20.44 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 112.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.86 24.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.874 -1.141 . . . . 0.0 111.663 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.2 m -91.81 165.99 12.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.652 1.181 . . . . 0.0 112.838 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -67.43 -15.86 63.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.264 1.026 . . . . 0.0 113.753 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.15 -17.13 63.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.092 1.357 . . . . 0.0 113.273 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.62 61.83 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.016 1.293 . . . . 0.0 113.596 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -113.15 147.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.693 1.597 . . . . 0.0 111.166 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.46 110.05 3.46 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.905 0.882 . . . . 0.0 110.374 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.01 148.54 21.59 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.366 0.984 . . . . 0.0 112.731 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.4 m -108.28 137.77 45.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.947 0.899 . . . . 0.0 111.617 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.769 1.628 . . . . 0.0 111.025 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mm -85.21 106.56 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 168.93 10.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.103 0.961 . . . . 0.0 111.267 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -125.45 152.01 45.48 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 110.767 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -142.03 143.58 33.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.225 1.01 . . . . 0.0 112.303 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -110.05 123.77 50.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.299 2.24 . . . . 0.0 110.851 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.8 p -80.48 178.75 8.11 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 111.692 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.0 -16.09 62.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.3 2.55 56.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.119 0.872 . . . . 0.0 112.755 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.25 9.29 86.74 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.137 1.351 . . . . 0.0 114.825 -168.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.42 119.97 19.34 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.673 1.237 . . . . 0.0 108.477 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -102.55 130.26 49.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.465 0.706 . . . . 0.0 112.113 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.5 163.91 23.08 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.998 1.719 . . . . 0.0 111.686 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 137.3 47.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.28 1.432 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 t -126.96 110.09 21.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.889 1.275 . . . . 0.0 110.95 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -70.16 130.03 18.17 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.445 3.43 . . . . 0.0 112.129 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.42 140.66 49.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.228 1.811 . . . . 0.0 111.525 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 162.55 20.81 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.993 0.917 . . . . 0.0 111.791 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.9 -26.04 45.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.203 1.401 . . . . 0.0 114.626 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.44 -12.69 60.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.793 1.237 . . . . 0.0 114.118 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.46 164.19 14.64 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.783 2.033 . . . . 0.0 112.655 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 149.44 48.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.952 1.301 . . . . 0.0 111.495 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.88 110.12 3.43 Favored Pre-proline 0 C--O 1.239 0.512 0 C-N-CA 127.882 2.473 . . . . 0.0 111.382 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.07 150.33 60.05 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.373 2.715 . . . . 0.0 110.582 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.98 15.78 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.571 1.558 . . . . 0.0 115.144 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.98 159.32 42.45 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.121 0.961 . . . . 0.0 112.558 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -157.62 148.03 20.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.393 1.477 . . . . 0.0 112.353 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.95 125.34 26.47 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.849 -1.157 . . . . 0.0 111.756 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.11 164.29 13.64 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.651 1.18 . . . . 0.0 112.79 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.88 -16.06 63.5 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -67.73 -17.02 64.42 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.264 1.026 . . . . 0.0 112.927 170.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 13.94 60.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.241 1.4 . . . . 0.0 113.63 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.6 tpp -114.85 147.42 39.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.676 1.59 . . . . 0.0 111.398 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.28 110.1 3.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.01 0.924 . . . . 0.0 110.392 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.79 148.86 21.27 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.436 1.017 . . . . 0.0 112.857 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.1 m -107.91 138.61 43.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.231 1.012 . . . . 0.0 111.61 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 125.415 1.486 . . . . 0.0 111.945 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mm -89.91 100.98 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.259 -0.9 . . . . 0.0 109.106 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.05 139.47 33.01 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 111.644 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -91.62 150.57 21.1 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.603 0.761 . . . . 0.0 111.249 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -141.64 142.21 33.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -109.34 125.0 51.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.945 1.698 . . . . 0.0 111.471 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -79.46 177.81 8.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.987 1.315 . . . . 0.0 111.67 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.39 -16.11 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -90.75 2.78 55.72 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.179 0.9 . . . . 0.0 112.707 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.63 89.03 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.234 1.397 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.5 120.17 18.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.699 1.249 . . . . 0.0 109.264 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -102.43 132.85 48.19 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.584 0.706 . . . . 0.0 111.912 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -127.84 161.86 28.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.897 1.679 . . . . 0.0 111.622 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -111.04 133.65 53.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.552 1.541 . . . . 0.0 111.388 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 t -123.94 110.02 29.61 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 126.094 1.757 . . . . 0.0 110.399 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -70.03 130.08 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.824 3.016 . . . . 0.0 112.54 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -118.16 141.69 48.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.434 1.893 . . . . 0.0 111.237 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.52 159.38 21.71 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.202 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.25 -19.96 56.9 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.757 1.223 . . . . 0.0 113.63 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.94 -13.13 61.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.902 1.281 . . . . 0.0 113.307 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.97 162.49 18.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.911 2.084 . . . . 0.0 112.35 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -131.83 139.84 48.96 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.897 1.279 . . . . 0.0 111.073 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -56.23 110.15 2.14 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 127.932 2.493 . . . . 0.0 111.323 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.47 149.42 56.09 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.188 2.592 . . . . 0.0 110.447 169.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.88 15.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.49 1.519 . . . . 0.0 115.246 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.97 160.13 40.62 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.063 0.931 . . . . 0.0 112.309 170.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.1 148.14 23.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.506 1.522 . . . . 0.0 111.593 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 124.84 25.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.95 -1.094 . . . . 0.0 111.791 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.79 162.44 14.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.423 1.089 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -69.17 -10.86 59.75 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -68.56 -17.16 64.09 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.283 1.033 . . . . 0.0 112.763 167.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 12.56 61.77 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.212 1.387 . . . . 0.0 113.586 -173.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.9 tpp -113.74 146.54 39.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.678 1.591 . . . . 0.0 111.308 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.15 110.04 3.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.752 0.821 . . . . 0.0 110.312 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.82 148.38 22.54 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.288 0.947 . . . . 0.0 112.652 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.6 m -107.01 138.75 42.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.801 0.841 . . . . 0.0 111.62 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.824 1.65 . . . . 0.0 111.074 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mm -85.8 106.21 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 157.1 16.06 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.339 0.656 . . . . 0.0 110.462 172.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -110.48 151.18 27.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.715 1.206 . . . . 0.0 110.614 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -141.47 142.24 33.63 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 111.788 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -110.0 125.95 53.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.378 1.871 . . . . 0.0 111.485 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -80.65 178.07 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.947 1.299 . . . . 0.0 111.875 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.3 -16.0 61.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.22 1.6 56.29 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.132 0.878 . . . . 0.0 112.704 170.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.33 86.41 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 125.106 1.336 . . . . 0.0 114.787 -168.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.82 119.99 20.57 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.039 1.42 . . . . 0.0 109.127 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -102.52 130.15 49.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.835 0.854 . . . . 0.0 111.969 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -130.06 164.07 25.16 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.855 1.662 . . . . 0.0 112.22 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -110.05 136.43 49.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.123 1.369 . . . . 0.0 111.872 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.96 109.95 21.95 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 125.075 1.35 . . . . 0.0 110.773 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.42 130.07 16.79 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.423 3.415 . . . . 0.0 112.339 169.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.363 1.865 . . . . 0.0 111.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.31 160.85 22.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.004 0.921 . . . . 0.0 111.409 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.23 -20.0 56.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.437 1.095 . . . . 0.0 113.632 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.97 -12.66 61.35 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.999 1.32 . . . . 0.0 113.546 172.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.45 23.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.69 1.996 . . . . 0.0 112.644 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -133.15 142.6 48.75 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.124 1.37 . . . . 0.0 111.379 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.36 110.07 2.31 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 128.1 2.56 . . . . 0.0 111.689 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.84 149.44 53.89 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.302 2.668 . . . . 0.0 110.581 169.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.39 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.43 1.49 . . . . 0.0 115.409 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.92 41.08 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.143 0.972 . . . . 0.0 112.01 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -156.5 148.05 22.59 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.127 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 124.27 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.886 -1.134 . . . . 0.0 111.653 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.7 m -95.07 165.43 12.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.692 1.197 . . . . 0.0 112.894 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -64.6 -18.74 65.17 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.3 -17.05 64.61 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.519 1.128 . . . . 0.0 113.147 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 14.66 58.95 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.162 1.363 . . . . 0.0 113.684 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -116.53 148.07 41.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.01 1.724 . . . . 0.0 110.982 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.45 110.06 3.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.427 0.632 . . . . 0.0 110.257 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.6 149.08 26.81 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.295 0.95 . . . . 0.0 112.417 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.6 m -106.83 138.33 43.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.013 0.925 . . . . 0.0 111.664 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 126.146 1.778 . . . . 0.0 111.839 -172.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 121.087 0.47 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.08 108.06 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.299 -0.876 . . . . 0.0 108.705 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.87 162.81 13.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.034 0.934 . . . . 0.0 110.671 163.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -120.67 150.13 41.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.074 1.35 . . . . 0.0 111.474 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.92 139.43 34.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.484 1.113 . . . . 0.0 112.076 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -106.47 125.8 51.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.553 1.941 . . . . 0.0 111.25 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -81.71 177.84 8.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.663 1.185 . . . . 0.0 111.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.84 -15.01 61.62 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.0 0.58 56.54 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 119.101 0.864 . . . . 0.0 112.539 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.49 7.19 87.86 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.404 1.478 . . . . 0.0 114.901 -167.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.14 120.04 19.16 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.77 1.285 . . . . 0.0 109.067 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.47 130.34 49.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.797 0.839 . . . . 0.0 111.989 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.73 164.22 22.6 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.133 1.773 . . . . 0.0 111.678 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.05 134.14 54.66 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.115 1.366 . . . . 0.0 110.255 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -122.18 110.05 32.98 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 124.744 1.217 . . . . 0.0 110.362 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.6 120.5 4.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.511 2.808 . . . . 0.0 111.559 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -103.4 144.02 31.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.622 1.969 . . . . 0.0 111.11 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.81 157.68 23.08 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.178 -0.951 . . . . 0.0 111.569 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.73 -20.13 46.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.255 1.422 . . . . 0.0 113.993 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.1 -11.65 56.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.48 160.96 15.01 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.621 1.968 . . . . 0.0 112.017 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -131.9 138.55 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.859 1.264 . . . . 0.0 111.085 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.3 110.14 2.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 C-N-CA 127.786 2.434 . . . . 0.0 111.688 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -72.95 149.83 47.84 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.478 2.785 . . . . 0.0 111.023 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.99 -29.95 15.29 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.657 1.599 . . . . 0.0 115.207 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.91 160.7 39.32 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.116 0.958 . . . . 0.0 112.596 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -155.64 146.81 22.54 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.872 1.269 . . . . 0.0 112.525 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.86 123.91 22.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.731 -1.231 . . . . 0.0 111.754 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -98.19 163.87 12.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.015 1.326 . . . . 0.0 113.197 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.24 -13.29 62.14 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -173.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.89 -17.1 64.74 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 112.549 167.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 18.13 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.32 1.438 . . . . 0.0 113.653 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.0 tpt -122.0 150.47 42.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.541 1.537 . . . . 0.0 111.056 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.69 110.0 3.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.607 -0.683 . . . . 0.0 110.3 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 148.05 26.92 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.713 1.149 . . . . 0.0 112.059 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.2 m -107.71 137.64 45.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 111.866 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 tp . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 125.541 1.536 . . . . 0.0 112.141 -176.295 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.93 110.04 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.1 161.16 13.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.822 0.849 . . . . 0.0 111.226 165.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -116.33 150.2 38.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.329 1.452 . . . . 0.0 110.727 170.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.01 142.77 36.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.302 1.041 . . . . 0.0 111.694 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -110.12 124.61 51.84 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.94 2.096 . . . . 0.0 110.932 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p -80.26 178.89 7.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.995 1.318 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.29 -16.63 61.37 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.2 1.94 54.95 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.155 0.889 . . . . 0.0 112.723 170.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.42 8.85 87.15 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.202 1.382 . . . . 0.0 114.791 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.71 119.93 18.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.636 1.218 . . . . 0.0 108.478 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.43 129.47 48.94 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.475 0.71 . . . . 0.0 111.731 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -125.0 162.53 24.33 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.572 1.549 . . . . 0.0 111.367 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.91 137.94 46.99 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.392 1.077 . . . . 0.0 110.839 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.5 110.03 26.01 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 124.808 1.243 . . . . 0.0 110.184 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -72.42 130.03 15.62 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.882 3.055 . . . . 0.0 111.24 168.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -114.14 143.94 43.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.22 1.808 . . . . 0.0 110.714 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.46 157.92 19.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.092 -1.005 . . . . 0.0 111.388 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.1 -19.97 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -80.58 -12.47 59.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.66 174.95 5.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.327 2.251 . . . . 0.0 112.318 175.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.17 163.71 31.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.853 1.661 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -83.68 110.12 22.89 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.645 2.378 . . . . 0.0 111.028 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.33 151.82 54.59 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.617 2.878 . . . . 0.0 110.964 166.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -30.01 14.97 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.555 1.55 . . . . 0.0 115.203 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -139.91 159.42 42.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.154 0.977 . . . . 0.0 112.777 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.67 148.12 20.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.372 . . . . 0.0 112.605 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 122.43 18.24 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.958 -1.089 . . . . 0.0 111.933 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.4 m -86.95 161.86 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.434 1.093 . . . . 0.0 112.08 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -17.23 63.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.797 0.839 . . . . 0.0 112.803 -173.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -65.64 -17.08 64.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.065 1.346 . . . . 0.0 113.208 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 12.52 59.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.327 1.441 . . . . 0.0 113.84 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -112.28 148.1 34.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.98 1.312 . . . . 0.0 111.329 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.11 110.07 3.28 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.712 0.805 . . . . 0.0 110.307 174.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.15 148.55 21.51 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.441 1.02 . . . . 0.0 112.766 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 m -105.86 140.04 39.49 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.866 -0.785 . . . . 0.0 111.609 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 125.507 1.523 . . . . 0.0 113.467 -175.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.27 103.63 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.376 -0.828 . . . . 0.0 109.11 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 164.23 12.65 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.699 0.761 . . . . 0.0 110.0 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.01 147.96 51.82 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.744 1.218 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -138.51 138.17 37.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.755 0.822 . . . . 0.0 112.137 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -104.14 124.96 50.03 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.352 1.461 . . . . 0.0 111.669 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.3 177.47 8.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.936 1.294 . . . . 0.0 111.707 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.67 -15.79 61.7 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.59 2.03 56.21 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.292 0.951 . . . . 0.0 112.703 171.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.31 5.64 86.97 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 125.16 1.362 . . . . 0.0 114.984 -168.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.18 120.1 20.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.962 1.381 . . . . 0.0 109.381 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.56 130.6 49.46 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.778 0.831 . . . . 0.0 111.827 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -129.01 163.46 25.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.731 1.612 . . . . 0.0 111.973 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.97 138.97 45.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.118 1.367 . . . . 0.0 111.506 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.84 109.78 18.57 Favored Pre-proline 0 N--CA 1.473 0.723 0 C-N-CA 125.211 1.404 . . . . 0.0 110.459 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -70.32 130.02 17.96 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 124.18 3.253 . . . . 0.0 111.861 169.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.56 142.5 46.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.201 1.801 . . . . 0.0 111.26 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 159.34 20.95 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.316 -0.865 . . . . 0.0 111.244 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.61 -19.93 59.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.546 1.139 . . . . 0.0 113.62 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.95 -14.18 61.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.95 1.3 . . . . 0.0 113.358 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.52 162.9 16.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.659 1.984 . . . . 0.0 112.593 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.22 139.16 49.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.044 1.338 . . . . 0.0 111.175 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.63 110.26 2.77 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 128.073 2.549 . . . . 0.0 111.69 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -71.07 149.96 59.46 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.295 2.664 . . . . 0.0 110.8 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.03 -29.95 15.52 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.538 1.542 . . . . 0.0 115.06 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -140.08 160.33 40.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 112.695 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -156.33 148.05 22.83 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.131 1.372 . . . . 0.0 112.033 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 125.51 27.0 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.906 -1.122 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.7 m -92.74 163.78 13.62 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.693 1.197 . . . . 0.0 112.801 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -66.34 -14.77 62.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -67.53 -17.05 64.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.97 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 12.7 61.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.078 1.323 . . . . 0.0 113.572 -173.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.0 tpp -114.55 148.45 37.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.753 1.621 . . . . 0.0 111.544 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.18 110.04 3.31 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.946 0.898 . . . . 0.0 110.492 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.36 147.28 20.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.711 1.148 . . . . 0.0 112.619 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.6 m -108.82 137.65 46.41 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.819 0.848 . . . . 0.0 111.951 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 125.484 1.514 . . . . 0.0 113.187 -173.403 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.94 107.44 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 124.317 1.047 . . . . 0.0 109.211 175.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.59 14.82 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.625 0.77 . . . . 0.0 110.516 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -116.84 149.14 40.52 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.899 1.28 . . . . 0.0 109.721 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -137.46 137.36 38.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.855 0.862 . . . . 0.0 111.927 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -104.04 123.46 47.25 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.371 1.468 . . . . 0.0 111.539 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -78.64 178.19 8.03 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.166 1.386 . . . . 0.0 111.765 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.16 -15.92 61.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.19 3.01 55.9 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.238 0.926 . . . . 0.0 112.668 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 5.77 88.27 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.2 1.381 . . . . 0.0 114.916 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.37 120.04 20.28 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.806 1.303 . . . . 0.0 109.229 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.45 129.59 49.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.796 0.838 . . . . 0.0 111.941 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 95.8 m-85 -127.47 163.04 24.97 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.555 1.542 . . . . 0.0 111.651 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.95 138.41 46.36 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.433 1.093 . . . . 0.0 110.33 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.13 110.02 31.25 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.621 1.169 . . . . 0.0 109.45 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.82 128.34 11.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.353 2.702 . . . . 0.0 110.803 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.41 140.66 48.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.429 1.492 . . . . 0.0 110.955 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.91 159.82 22.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.191 -0.943 . . . . 0.0 111.531 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.42 -19.88 57.74 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 113.68 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.83 -12.44 60.68 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.984 1.314 . . . . 0.0 113.48 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.5 174.37 6.59 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.144 2.178 . . . . 0.0 112.736 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.59 164.19 28.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.052 1.741 . . . . 0.0 111.696 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.35 110.05 28.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 127.651 2.38 . . . . 0.0 111.066 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.48 151.64 53.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.703 2.935 . . . . 0.0 111.093 166.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.91 15.79 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.755 1.645 . . . . 0.0 115.323 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.94 41.04 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 112.724 171.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -157.13 147.98 21.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.316 1.446 . . . . 0.0 111.839 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 125.93 28.18 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.858 -1.151 . . . . 0.0 111.632 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.02 161.04 16.8 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.44 1.096 . . . . 0.0 112.187 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -64.09 -16.79 62.53 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.1 -17.12 64.2 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.979 1.312 . . . . 0.0 113.099 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.06 62.59 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.195 1.378 . . . . 0.0 113.484 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.6 tpp -114.87 147.02 40.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 111.555 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.58 110.13 3.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.008 0.923 . . . . 0.0 110.549 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.5 148.65 20.68 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.779 1.18 . . . . 0.0 112.971 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.5 m -109.55 138.18 46.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 112.037 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 tp . . . . . 0 CA--C 1.54 0.559 0 C-N-CA 125.647 1.579 . . . . 0.0 114.75 -172.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.06 110.01 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 160.04 14.58 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.983 0.913 . . . . 0.0 110.122 163.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -113.8 155.58 25.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.375 1.07 . . . . 0.0 110.268 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -142.79 141.43 31.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.82 0.848 . . . . 0.0 111.537 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -106.93 123.67 48.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.185 1.794 . . . . 0.0 111.414 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -77.58 178.21 7.45 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.298 1.439 . . . . 0.0 111.653 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.16 -15.96 61.97 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -91.34 3.53 54.68 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.233 0.924 . . . . 0.0 112.889 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 5.35 89.49 Favored Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.153 1.359 . . . . 0.0 114.62 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.83 120.14 19.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.486 1.143 . . . . 0.0 108.766 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.43 132.74 48.26 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.578 0.704 . . . . 0.0 111.94 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -126.85 163.17 24.21 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.985 1.714 . . . . 0.0 111.426 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.94 134.26 52.29 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.071 1.348 . . . . 0.0 110.158 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.27 110.03 34.63 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 124.554 1.142 . . . . 0.0 109.65 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.5 119.94 4.27 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.318 2.679 . . . . 0.0 111.293 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.75 142.76 33.35 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.931 1.692 . . . . 0.0 111.367 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.2 26.6 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.272 -0.893 . . . . 0.0 111.46 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.69 -19.99 53.35 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.83 -12.03 60.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.037 1.335 . . . . 0.0 113.474 172.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.95 173.51 7.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.991 2.117 . . . . 0.0 112.92 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.03 166.15 23.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.11 1.764 . . . . 0.0 111.602 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -89.04 110.03 35.09 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.221 2.209 . . . . 0.0 110.115 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.22 151.46 54.81 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.683 2.922 . . . . 0.0 110.816 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.89 15.58 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.634 1.587 . . . . 0.0 115.184 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.94 159.56 41.9 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.203 1.001 . . . . 0.0 112.494 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.9 148.01 21.98 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.362 1.465 . . . . 0.0 111.92 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 125.41 26.69 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.891 -1.13 . . . . 0.0 111.487 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.66 163.12 14.22 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.52 1.128 . . . . 0.0 112.5 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -68.38 -11.7 60.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.65 -17.14 64.04 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.626 1.17 . . . . 0.0 112.846 168.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 12.85 61.51 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.264 1.411 . . . . 0.0 113.582 -173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.1 tpp -114.22 147.18 39.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.46 1.504 . . . . 0.0 111.546 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.34 110.06 3.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 110.45 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.01 148.87 21.13 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.407 1.003 . . . . 0.0 112.851 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 m -108.41 138.01 45.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.984 0.914 . . . . 0.0 111.888 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 125.997 1.719 . . . . 0.0 111.682 -171.839 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.396 0.617 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.02 108.2 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 121.243 -0.911 . . . . 0.0 108.554 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.88 165.14 12.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.765 1.226 . . . . 0.0 111.321 168.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -114.95 149.35 37.44 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.228 1.411 . . . . 0.0 111.001 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.12 142.98 38.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.033 0.933 . . . . 0.0 111.341 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -109.22 125.03 51.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.487 1.915 . . . . 0.0 111.009 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.9 p -77.24 176.27 8.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.789 1.235 . . . . 0.0 111.277 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.3 -11.74 59.94 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.353 -0.842 . . . . 0.0 112.488 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.86 11.4 33.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.052 1.741 . . . . 0.0 111.61 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.61 -0.24 89.46 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 126.441 1.972 . . . . 0.0 114.945 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.39 120.12 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.457 0.703 . . . . 0.0 109.912 -167.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -102.43 130.84 49.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.521 0.677 . . . . 0.0 111.571 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -126.94 162.51 25.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.855 1.662 . . . . 0.0 111.401 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.0 136.39 49.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 111.283 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.0 110.05 24.61 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.01 1.324 . . . . 0.0 111.087 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.45 125.45 10.16 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.066 3.178 . . . . 0.0 112.056 168.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -108.42 141.84 39.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.532 1.933 . . . . 0.0 111.263 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.9 23.74 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.349 -0.845 . . . . 0.0 110.92 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.16 -19.99 56.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.434 1.094 . . . . 0.0 113.627 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.96 -13.35 61.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.933 1.293 . . . . 0.0 113.23 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.19 20.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.984 2.114 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 139.96 50.11 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.942 1.297 . . . . 0.0 111.06 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -55.68 110.15 2.08 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 127.737 2.415 . . . . 0.0 111.752 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.08 150.26 53.84 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.27 2.646 . . . . 0.0 110.786 168.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.13 -29.84 15.92 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.622 1.582 . . . . 0.0 115.096 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -139.99 159.98 40.95 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.066 0.933 . . . . 0.0 112.841 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -156.88 148.02 22.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.183 1.393 . . . . 0.0 112.402 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.94 125.8 27.83 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.763 -1.211 . . . . 0.0 111.791 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.6 m -95.07 164.02 13.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.699 1.199 . . . . 0.0 113.081 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -68.89 -13.88 62.69 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.87 -17.22 63.95 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 118.812 0.733 . . . . 0.0 112.511 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.92 14.66 54.58 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.544 1.545 . . . . 0.0 113.901 -177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.8 tpt -113.98 145.53 41.41 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.736 1.614 . . . . 0.0 111.262 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.57 110.03 1.03 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.163 0.985 . . . . 0.0 110.315 169.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.68 147.73 21.41 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.425 1.012 . . . . 0.0 112.135 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.9 m -105.24 140.4 38.45 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.834 -0.804 . . . . 0.0 111.304 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.032 1.333 . . . . 0.0 112.313 -177.455 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.04 110.0 21.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.18 -0.95 . . . . 0.0 108.523 177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.85 161.57 13.8 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.52 0.728 . . . . 0.0 110.093 165.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -123.46 151.69 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.661 1.184 . . . . 0.0 110.125 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -138.7 137.76 37.11 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.615 0.766 . . . . 0.0 112.273 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -104.13 123.12 46.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.692 1.597 . . . . 0.0 111.395 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -77.5 178.38 7.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.38 1.472 . . . . 0.0 111.898 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.77 -16.21 61.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -91.17 3.11 55.64 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.146 0.884 . . . . 0.0 112.815 171.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.93 88.61 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.074 1.321 . . . . 0.0 114.778 -169.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.79 120.01 19.76 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.58 1.19 . . . . 0.0 108.643 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -102.44 131.72 48.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.71 -0.619 . . . . 0.0 112.132 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -127.93 162.46 26.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.88 1.672 . . . . 0.0 111.471 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -109.89 137.94 46.97 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.367 1.467 . . . . 0.0 110.904 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.98 109.03 18.25 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.817 1.247 . . . . 0.0 110.141 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -71.08 130.0 17.06 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.081 3.188 . . . . 0.0 111.38 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -114.5 145.23 42.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.456 1.902 . . . . 0.0 110.969 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 155.58 20.52 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 111.28 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -19.87 58.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.424 1.09 . . . . 0.0 113.771 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -10.64 59.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.28 174.99 5.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.838 2.055 . . . . 0.0 112.179 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.21 160.08 38.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.355 1.462 . . . . 0.0 110.704 170.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.69 110.06 24.73 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 127.643 2.377 . . . . 0.0 110.269 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.31 151.77 60.49 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.367 2.711 . . . . 0.0 110.778 167.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.88 14.95 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.509 1.528 . . . . 0.0 115.071 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.2 p -139.97 158.71 43.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.029 0.915 . . . . 0.0 112.926 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -156.61 148.15 22.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.472 1.509 . . . . 0.0 111.866 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 126.94 31.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 111.511 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.53 165.4 13.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.552 1.141 . . . . 0.0 112.777 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -68.78 -13.61 62.51 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -69.7 -17.15 63.45 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 113.157 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.09 61.16 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.895 1.236 . . . . 0.0 113.657 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -112.69 147.74 36.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.372 1.469 . . . . 0.0 111.501 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.54 110.04 2.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.255 1.022 . . . . 0.0 110.353 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.1 148.85 19.98 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.582 1.087 . . . . 0.0 113.206 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 m -109.57 137.71 47.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.898 0.879 . . . . 0.0 112.04 175.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 tp . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.843 1.657 . . . . 0.0 115.358 -172.257 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.12 106.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 160.97 14.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.073 0.949 . . . . 0.0 111.139 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -115.43 150.34 36.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.333 1.453 . . . . 0.0 111.016 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -141.86 143.72 33.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.433 1.093 . . . . 0.0 111.678 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -110.07 124.98 52.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.54 1.936 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -79.63 178.4 8.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.197 1.399 . . . . 0.0 111.826 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.3 -16.1 61.9 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.28 2.54 56.3 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.146 0.885 . . . . 0.0 112.769 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.64 9.99 85.74 Favored Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.961 1.267 . . . . 0.0 114.59 -168.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.72 119.99 20.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.178 1.489 . . . . 0.0 108.752 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -102.48 130.27 49.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.773 0.829 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.99 164.1 23.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.564 1.546 . . . . 0.0 112.254 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.99 138.79 45.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.224 1.009 . . . . 0.0 111.786 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.01 110.0 24.59 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.794 1.637 . . . . 0.0 110.425 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -69.09 130.02 19.4 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.346 3.364 . . . . 0.0 112.233 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.62 142.2 47.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.321 1.848 . . . . 0.0 111.353 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.96 21.94 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.104 -0.998 . . . . 0.0 111.403 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.72 -19.98 60.12 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.209 1.004 . . . . 0.0 113.573 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.74 -12.68 60.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.003 1.321 . . . . 0.0 113.397 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.05 174.36 6.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.263 2.225 . . . . 0.0 112.735 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.49 165.14 25.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.202 1.801 . . . . 0.0 111.22 171.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.2 109.96 29.58 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 126.968 2.107 . . . . 0.0 109.732 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.03 153.97 71.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.618 2.878 . . . . 0.0 110.881 168.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.9 15.81 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.619 1.104 . . . . 0.0 115.02 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -142.47 159.89 41.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.207 1.004 . . . . 0.0 112.78 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -156.97 148.06 21.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.203 1.401 . . . . 0.0 112.262 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.15 123.99 22.59 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.952 -1.093 . . . . 0.0 111.538 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.9 m -92.26 166.46 12.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.669 1.188 . . . . 0.0 112.838 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -67.3 -15.67 63.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.067 . . . . 0.0 113.818 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.17 -17.12 63.77 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.076 1.35 . . . . 0.0 113.336 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 12.97 61.25 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.783 1.183 . . . . 0.0 113.617 -173.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -114.66 148.41 38.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.779 1.632 . . . . 0.0 111.24 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.25 109.96 3.31 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.894 0.878 . . . . 0.0 110.465 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.74 147.87 21.45 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.327 0.965 . . . . 0.0 112.605 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -106.71 137.82 44.04 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.985 0.914 . . . . 0.0 111.574 173.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.414 1.486 . . . . 0.0 110.791 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.9 mm -92.72 106.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 124.514 1.126 . . . . 0.0 109.062 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 160.16 14.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.804 0.841 . . . . 0.0 110.97 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -112.08 151.91 28.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.682 1.193 . . . . 0.0 110.614 169.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -140.88 141.75 34.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.255 1.022 . . . . 0.0 111.332 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -108.56 124.67 50.82 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.637 1.975 . . . . 0.0 111.019 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 p -79.65 178.39 8.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.989 1.316 . . . . 0.0 111.41 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.66 -16.37 61.7 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -89.36 1.85 55.22 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.157 0.89 . . . . 0.0 112.669 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.18 7.79 88.04 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 125.14 1.352 . . . . 0.0 114.779 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.61 120.03 18.65 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.668 1.234 . . . . 0.0 108.536 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.5 132.5 48.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.533 0.682 . . . . 0.0 112.05 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.85 163.36 23.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.712 1.605 . . . . 0.0 111.464 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 133.9 52.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.843 1.257 . . . . 0.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.07 110.09 38.44 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 124.756 1.222 . . . . 0.0 109.955 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.19 129.95 14.68 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.358 2.705 . . . . 0.0 111.278 171.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -119.56 140.81 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.771 1.628 . . . . 0.0 111.402 174.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.54 159.41 24.13 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.316 -0.865 . . . . 0.0 111.376 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.89 -19.95 54.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.925 1.29 . . . . 0.0 113.67 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.98 -13.48 61.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.918 1.287 . . . . 0.0 113.478 171.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.71 160.91 22.35 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.675 1.99 . . . . 0.0 112.557 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -131.5 141.69 49.8 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.044 1.338 . . . . 0.0 111.116 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.8 110.14 2.3 Favored Pre-proline 0 N--CA 1.472 0.625 0 C-N-CA 127.934 2.494 . . . . 0.0 111.407 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.86 149.9 54.57 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.288 2.659 . . . . 0.0 110.605 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.31 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.515 1.531 . . . . 0.0 115.307 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.07 159.72 41.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.159 0.979 . . . . 0.0 112.413 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -157.93 148.13 20.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.52 1.528 . . . . 0.0 111.872 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 125.94 28.22 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.969 -1.082 . . . . 0.0 111.951 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.0 m -92.02 162.97 14.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.66 1.184 . . . . 0.0 112.687 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.43 -14.58 63.06 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.41 -17.1 64.58 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.106 0.962 . . . . 0.0 112.83 169.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 12.89 60.23 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.304 1.43 . . . . 0.0 113.689 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -113.73 147.99 37.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.977 1.311 . . . . 0.0 111.321 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.04 109.96 2.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.313 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.65 149.14 23.22 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.47 1.033 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.1 m -107.05 138.62 42.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.961 0.904 . . . . 0.0 111.318 173.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.585 1.554 . . . . 0.0 110.669 -176.067 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.4 0.619 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.55 109.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 123.973 0.909 . . . . 0.0 108.659 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.27 15.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.22 1.008 . . . . 0.0 110.878 163.038 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -110.35 150.91 28.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.551 1.14 . . . . 0.0 110.322 169.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.12 139.64 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 110.933 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.93 124.02 49.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.92 1.688 . . . . 0.0 110.875 -177.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -76.98 177.63 7.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.892 1.277 . . . . 0.0 111.318 178.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.38 -16.03 61.35 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.246 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -88.66 1.64 54.69 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.183 0.901 . . . . 0.0 112.837 171.083 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.47 4.98 88.99 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.145 1.355 . . . . 0.0 114.68 -168.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.85 120.03 17.91 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.575 1.188 . . . . 0.0 108.728 -178.512 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.44 132.94 48.14 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.524 0.678 . . . . 0.0 111.915 -179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.88 160.46 31.75 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.523 1.529 . . . . 0.0 111.556 177.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -109.88 133.09 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.869 1.267 . . . . 0.0 110.918 -177.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.56 110.02 34.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 124.408 1.083 . . . . 0.0 109.88 178.22 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.41 118.46 3.93 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.374 2.716 . . . . 0.0 111.053 172.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -98.98 143.2 29.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.559 1.944 . . . . 0.0 111.438 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 157.11 26.92 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.375 -0.828 . . . . 0.0 110.972 174.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.04 -20.01 55.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.432 1.093 . . . . 0.0 113.67 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.87 -11.38 60.12 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.525 1.13 . . . . 0.0 113.311 173.341 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.41 161.97 18.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.738 2.015 . . . . 0.0 112.459 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.91 138.98 48.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.805 1.242 . . . . 0.0 111.357 174.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.61 110.16 2.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 127.637 2.375 . . . . 0.0 111.877 -173.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.37 153.21 66.28 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.388 2.725 . . . . 0.0 111.193 168.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.3 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.847 1.213 . . . . 0.0 115.238 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.3 p -142.72 160.11 40.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.337 1.068 . . . . 0.0 113.171 174.258 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -157.32 148.09 21.39 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.293 1.437 . . . . 0.0 112.246 -178.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 126.89 31.03 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.893 -1.129 . . . . 0.0 111.846 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.0 m -92.75 162.89 13.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.532 1.133 . . . . 0.0 112.578 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -67.35 -15.23 63.57 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -177.222 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.26 -17.14 64.67 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.141 0.976 . . . . 0.0 112.765 169.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.85 60.71 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.553 1.549 . . . . 0.0 113.63 -175.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.7 tpt -112.18 147.64 35.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.007 1.323 . . . . 0.0 111.397 177.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.14 110.01 2.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.981 0.913 . . . . 0.0 110.965 172.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.4 147.84 20.94 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.475 1.036 . . . . 0.0 112.533 176.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.0 m -107.08 139.8 40.91 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.8 -0.823 . . . . 0.0 111.686 173.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.634 -176.785 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.475 0 CA-C-O 121.512 0.672 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 110.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.489 1.116 . . . . 0.0 108.946 176.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 159.11 15.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 111.386 162.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -110.17 150.47 28.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.73 1.212 . . . . 0.0 110.328 167.084 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -139.38 140.83 37.56 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.339 1.056 . . . . 0.0 111.189 175.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -108.23 126.99 53.44 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.574 1.55 . . . . 0.0 111.722 -177.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -78.3 176.56 9.18 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.746 1.218 . . . . 0.0 111.246 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -79.42 -11.7 59.91 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.347 -0.845 . . . . 0.0 112.477 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -96.25 11.42 34.59 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.308 1.843 . . . . 0.0 111.549 175.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.16 89.11 Favored Glycine 0 N--CA 1.471 1.028 0 C-N-CA 126.552 2.025 . . . . 0.0 115.076 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.79 120.16 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.779 0.832 . . . . 0.0 110.818 -165.273 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.42 128.32 49.06 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.452 0.701 . . . . 0.0 111.565 -175.346 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.09 162.44 26.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.814 1.645 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -109.86 136.91 48.41 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.6 1.16 . . . . 0.0 111.178 -177.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -124.12 108.16 30.06 Favored Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 124.262 1.025 . . . . 0.0 109.992 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.09 118.4 4.03 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.341 2.694 . . . . 0.0 111.008 171.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.91 139.97 34.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.237 1.415 . . . . 0.0 111.282 173.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.34 160.88 22.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.89 0.876 . . . . 0.0 111.488 176.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.28 -21.35 48.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.093 1.357 . . . . 0.0 114.064 -176.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.42 -11.2 59.92 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.79 26.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.863 2.065 . . . . 0.0 112.553 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -136.17 145.6 45.95 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 112.154 174.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -57.95 110.1 2.28 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 128.263 2.625 . . . . 0.0 112.306 -168.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.83 150.61 44.56 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.306 2.671 . . . . 0.0 110.946 166.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.98 -29.89 15.08 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.826 1.679 . . . . 0.0 115.248 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.02 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.099 0.95 . . . . 0.0 112.801 172.324 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -157.46 148.04 21.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.158 1.383 . . . . 0.0 112.249 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 126.33 29.38 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.822 -1.174 . . . . 0.0 112.003 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.99 164.22 13.17 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 112.824 -178.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -68.43 -14.67 63.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -176.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -68.63 -17.07 64.04 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 121.638 0.733 . . . . 0.0 112.62 168.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.51 13.5 56.94 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.559 1.552 . . . . 0.0 113.779 -177.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 tpt -111.36 149.01 31.77 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.799 1.64 . . . . 0.0 111.285 176.036 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.12 109.89 2.77 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.528 0.731 . . . . 0.0 110.053 171.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.55 148.56 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.69 1.138 . . . . 0.0 112.25 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.1 m -106.26 140.2 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.724 -0.868 . . . . 0.0 111.369 172.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.426 1.49 . . . . 0.0 112.725 -178.083 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.255 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.12 101.82 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 123.88 0.872 . . . . 0.0 108.948 173.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.33 145.08 29.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.765 0.826 . . . . 0.0 111.634 176.463 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -101.03 151.14 22.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.193 0.997 . . . . 0.0 112.354 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.33 142.82 31.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.11 0.964 . . . . 0.0 111.566 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -109.39 126.28 53.27 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.115 1.766 . . . . 0.0 111.523 -179.046 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 p -77.15 176.22 8.92 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.919 1.288 . . . . 0.0 111.28 178.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.94 -11.62 60.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.374 -0.829 . . . . 0.0 112.468 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -96.2 11.44 34.42 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.126 1.77 . . . . 0.0 111.535 175.342 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.91 1.39 90.25 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 126.345 1.926 . . . . 0.0 114.941 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.53 120.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.732 0.766 . . . . 0.0 110.188 -167.568 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -102.52 127.87 49.4 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 111.391 -175.125 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -125.94 163.39 23.09 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.63 1.572 . . . . 0.0 111.73 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -111.19 131.94 54.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.221 1.408 . . . . 0.0 110.068 177.456 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.0 t -115.36 110.14 45.52 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.965 1.706 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.89 129.37 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.185 2.59 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.01 142.76 48.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.077 1.751 . . . . 0.0 111.028 174.099 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.05 159.19 20.26 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.035 -1.04 . . . . 0.0 111.466 176.666 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.91 -19.96 61.33 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.58 -13.92 61.1 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.838 1.255 . . . . 0.0 113.426 171.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.73 5.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.101 2.161 . . . . 0.0 112.619 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.75 167.15 21.05 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.003 1.721 . . . . 0.0 111.504 173.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 mm -91.7 109.38 36.31 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 126.501 1.92 . . . . 0.0 109.493 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.86 152.04 57.56 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.367 2.711 . . . . 0.0 110.749 168.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.85 15.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.648 1.594 . . . . 0.0 115.102 179.35 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -140.0 159.35 42.37 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.226 1.013 . . . . 0.0 112.516 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -157.76 148.02 20.6 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.26 1.424 . . . . 0.0 112.298 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 124.95 25.23 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.826 -1.171 . . . . 0.0 111.822 -179.052 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.75 165.09 12.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.043 1.337 . . . . 0.0 113.018 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -68.65 -13.86 62.64 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.248 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -69.12 -17.13 63.81 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 118.855 0.752 . . . . 0.0 112.539 168.471 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.48 49.85 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.484 1.516 . . . . 0.0 113.879 -176.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.1 tpt -115.89 149.85 38.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.669 1.587 . . . . 0.0 111.514 176.574 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.79 110.03 2.68 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.684 0.794 . . . . 0.0 110.173 171.769 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.69 148.6 22.81 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.512 1.053 . . . . 0.0 112.212 175.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 m -106.41 137.93 43.5 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.744 -0.857 . . . . 0.0 111.691 173.688 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 C-N-CA 125.752 1.621 . . . . 0.0 111.917 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.24 108.33 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.663 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 154.37 17.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.298 1.039 . . . . 0.0 110.282 164.163 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -104.29 153.35 21.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.87 0.868 . . . . 0.0 110.358 169.166 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -139.32 138.16 36.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.581 1.153 . . . . 0.0 111.142 172.399 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 ttp85 -104.25 125.72 50.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -178.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.2 p -79.68 177.97 8.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.734 1.214 . . . . 0.0 111.761 178.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.46 -16.45 61.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -178.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.04 1.79 55.93 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.2 0.909 . . . . 0.0 112.871 171.579 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.09 88.8 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.931 1.253 . . . . 0.0 114.625 -168.392 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.26 120.0 18.27 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.541 1.171 . . . . 0.0 108.567 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.34 132.58 48.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.496 0.665 . . . . 0.0 111.6 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.43 159.97 30.59 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.625 1.57 . . . . 0.0 111.27 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.17 127.59 55.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.435 1.094 . . . . 0.0 110.414 -175.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -117.37 109.45 42.14 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 124.728 1.211 . . . . 0.0 109.432 -177.576 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.73 118.39 4.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.604 2.203 . . . . 0.0 110.923 172.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -98.05 143.38 28.66 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.827 1.651 . . . . 0.0 110.635 172.422 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.62 28.22 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.317 -0.865 . . . . 0.0 109.912 173.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -19.81 58.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.92 -15.14 62.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.256 1.022 . . . . 0.0 112.926 172.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.73 171.16 7.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.837 2.055 . . . . 0.0 112.17 176.198 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.12 148.63 43.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.745 1.618 . . . . 0.0 111.362 173.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -66.39 110.1 4.31 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 128.351 2.66 . . . . 0.0 111.652 -173.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.75 150.33 55.95 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.389 2.726 . . . . 0.0 110.914 167.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -29.95 14.86 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.697 1.618 . . . . 0.0 115.485 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -140.0 159.74 41.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.248 1.024 . . . . 0.0 112.506 171.065 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.82 148.06 23.58 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.326 1.45 . . . . 0.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 125.97 28.32 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.893 -1.13 . . . . 0.0 111.446 -179.411 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.2 m -92.55 161.94 14.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.448 1.099 . . . . 0.0 112.769 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -70.32 -10.78 59.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -175.588 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.78 -17.11 63.98 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.191 0.996 . . . . 0.0 112.663 167.081 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 12.73 61.51 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.418 1.485 . . . . 0.0 113.684 -174.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.5 tpp -112.75 146.87 38.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.556 1.542 . . . . 0.0 111.306 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.02 110.14 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.134 0.974 . . . . 0.0 110.241 175.621 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.87 148.56 20.38 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.461 1.029 . . . . 0.0 113.091 178.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -110.36 138.11 47.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.851 0.86 . . . . 0.0 112.036 175.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 126.072 1.749 . . . . 0.0 111.896 -170.584 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -87.89 107.45 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 173.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.96 166.1 11.77 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.929 0.892 . . . . 0.0 111.237 170.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.32 154.21 31.64 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.717 1.207 . . . . 0.0 110.76 169.022 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -141.79 141.67 33.19 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.863 1.265 . . . . 0.0 111.085 174.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -107.38 125.19 50.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.583 1.953 . . . . 0.0 110.666 -178.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -80.43 178.33 8.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.796 1.239 . . . . 0.0 111.82 -178.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.87 -16.55 61.58 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.58 2.16 56.08 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.173 0.897 . . . . 0.0 112.747 171.287 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.67 8.63 87.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.882 1.229 . . . . 0.0 114.614 -168.062 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.7 119.89 19.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.794 1.297 . . . . 0.0 108.265 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -102.54 132.78 48.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.219 0.608 . . . . 0.0 111.677 -178.092 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.0 163.15 27.09 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.236 1.414 . . . . 0.0 112.259 178.145 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.96 134.24 52.32 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.449 1.499 . . . . 0.0 110.892 -178.077 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.2 110.01 29.06 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.921 1.289 . . . . 0.0 110.736 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.14 130.08 18.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.354 3.369 . . . . 0.0 112.167 168.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.66 142.54 47.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.617 1.967 . . . . 0.0 111.251 171.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.5 157.12 24.96 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.239 -0.913 . . . . 0.0 110.799 174.1 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.24 -19.9 56.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.392 1.077 . . . . 0.0 113.836 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.92 -13.39 61.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.6 1.16 . . . . 0.0 113.215 172.369 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.61 162.12 18.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.03 2.132 . . . . 0.0 112.213 177.275 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -131.84 141.44 49.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.303 . . . . 0.0 111.064 172.729 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.34 110.09 2.22 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 127.789 2.436 . . . . 0.0 111.182 -173.238 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.46 149.83 56.83 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.269 2.646 . . . . 0.0 110.49 170.374 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.97 -29.97 15.17 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.503 1.525 . . . . 0.0 115.202 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 p -139.98 159.9 41.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.174 0.987 . . . . 0.0 112.257 170.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -157.16 148.03 21.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.626 1.57 . . . . 0.0 111.715 -178.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 125.03 25.31 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.958 -1.089 . . . . 0.0 111.635 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.63 165.51 14.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.371 1.069 . . . . 0.0 112.535 -179.1 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -67.14 -16.56 64.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.284 1.034 . . . . 0.0 113.65 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.03 -17.17 63.86 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.191 1.396 . . . . 0.0 113.388 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 11.6 63.21 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.839 1.209 . . . . 0.0 113.687 -173.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -111.15 147.1 35.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.741 1.616 . . . . 0.0 110.958 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.24 110.02 3.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.668 0.787 . . . . 0.0 110.33 175.099 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.06 149.14 21.92 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.543 1.068 . . . . 0.0 112.924 176.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 m -108.46 137.94 45.59 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.941 0.896 . . . . 0.0 111.776 174.227 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.912 1.685 . . . . 0.0 111.001 -174.59 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.609 0.719 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 108.84 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.102 0.961 . . . . 0.0 108.536 175.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.93 13.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 111.116 167.249 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.08 149.88 32.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.958 1.303 . . . . 0.0 110.64 170.299 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.83 140.89 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.02 0.928 . . . . 0.0 111.012 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -108.1 124.17 49.82 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.228 1.811 . . . . 0.0 111.204 -178.636 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -77.3 177.65 7.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.042 1.337 . . . . 0.0 111.353 178.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.4 -15.44 61.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.42 0.66 56.0 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.151 0.887 . . . . 0.0 112.739 170.679 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.93 4.79 88.39 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.224 1.392 . . . . 0.0 114.701 -168.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.68 120.03 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.7 1.25 . . . . 0.0 109.051 -178.398 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -102.37 134.39 45.75 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.646 0.736 . . . . 0.0 112.324 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.08 159.96 35.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.838 1.655 . . . . 0.0 111.715 178.345 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -112.44 128.95 56.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.439 1.496 . . . . 0.0 111.035 -174.556 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.54 110.0 32.37 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.549 1.14 . . . . 0.0 110.86 -177.185 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.67 123.55 8.13 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.035 3.157 . . . . 0.0 111.879 169.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.02 140.39 39.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.426 1.89 . . . . 0.0 111.395 171.407 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.86 160.12 24.85 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.41 -0.806 . . . . 0.0 111.182 175.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.38 -20.04 58.04 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.464 1.106 . . . . 0.0 113.57 178.417 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.95 -13.82 61.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.064 1.346 . . . . 0.0 113.471 172.009 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.34 160.67 22.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.716 2.007 . . . . 0.0 112.511 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -130.91 140.28 50.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.971 1.308 . . . . 0.0 111.177 172.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.4 mm -55.34 110.07 2.0 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 127.981 2.512 . . . . 0.0 111.872 -173.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.13 149.65 52.48 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.353 2.702 . . . . 0.0 110.715 168.428 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.89 15.82 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.665 1.602 . . . . 0.0 115.131 179.262 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.6 p -139.91 160.36 40.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.056 0.928 . . . . 0.0 112.853 171.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.05 146.81 22.0 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.074 1.35 . . . . 0.0 112.251 -179.132 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 125.55 27.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.764 -1.21 . . . . 0.0 111.596 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -96.59 163.23 13.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.802 1.241 . . . . 0.0 113.069 -177.038 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -68.47 -13.48 62.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -174.318 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.11 -17.05 64.7 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.999 0.92 . . . . 0.0 112.723 168.227 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.65 13.48 59.53 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.558 1.551 . . . . 0.0 113.728 -174.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.8 tpt -115.54 148.99 38.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.207 1.403 . . . . 0.0 111.521 178.294 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.66 110.04 2.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.82 0.848 . . . . 0.0 110.131 172.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.27 146.48 21.85 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.477 1.037 . . . . 0.0 112.158 175.21 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -105.72 140.02 39.41 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.852 -0.793 . . . . 0.0 111.584 173.276 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 125.309 1.443 . . . . 0.0 112.665 -177.539 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 mm -87.59 107.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 163.09 13.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.569 0.748 . . . . 0.0 110.97 170.068 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -120.11 148.85 43.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.949 1.3 . . . . 0.0 110.766 174.331 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -140.07 143.56 36.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.96 0.904 . . . . 0.0 111.843 176.636 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -109.25 125.25 52.08 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.88 2.072 . . . . 0.0 111.052 -178.236 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p -78.13 177.18 8.56 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.141 1.376 . . . . 0.0 111.401 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.07 -11.15 59.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.428 -0.795 . . . . 0.0 112.598 -178.598 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.47 11.83 37.01 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.431 1.892 . . . . 0.0 111.553 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.95 1.63 89.91 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.479 1.99 . . . . 0.0 115.151 -178.232 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.8 120.12 25.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.542 0.671 . . . . 0.0 110.21 -167.651 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -102.46 127.58 49.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.349 0.659 . . . . 0.0 111.684 -176.155 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -126.78 163.68 23.02 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.966 1.706 . . . . 0.0 111.651 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -109.92 138.26 46.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -126.49 110.04 23.27 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 125.077 1.351 . . . . 0.0 110.211 177.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -71.11 130.02 17.05 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.231 3.287 . . . . 0.0 111.759 169.293 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -117.26 142.31 47.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.518 1.927 . . . . 0.0 111.31 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.44 159.3 21.79 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 178.031 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.27 -20.38 58.79 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 176.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.74 -11.86 60.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.41 172.39 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.95 174.06 6.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.16 2.184 . . . . 0.0 112.753 -177.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -132.55 167.12 20.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.208 1.803 . . . . 0.0 111.102 171.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.0 mm -88.51 109.99 33.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 126.839 2.056 . . . . 0.0 109.431 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.38 151.92 60.21 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.564 2.842 . . . . 0.0 110.609 168.755 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.95 15.62 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.388 1.47 . . . . 0.0 115.075 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.3 p -140.07 160.09 40.73 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.286 1.043 . . . . 0.0 112.472 171.444 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.14 148.2 20.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.483 1.513 . . . . 0.0 111.994 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 125.79 27.39 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.828 -1.17 . . . . 0.0 111.984 -179.318 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.8 m -93.69 164.58 13.09 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.613 1.165 . . . . 0.0 112.701 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -67.65 -14.89 63.33 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -176.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.32 -17.11 63.68 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 118.792 0.724 . . . . 0.0 112.766 169.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.05 14.25 56.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.489 1.519 . . . . 0.0 113.965 -177.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.3 tpp -111.74 147.89 34.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.147 1.779 . . . . 0.0 110.779 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.52 110.03 4.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.667 -0.646 . . . . 0.0 109.996 172.205 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.28 149.35 27.59 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.233 0.92 . . . . 0.0 112.312 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 m -103.9 139.01 39.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.766 0.826 . . . . 0.0 111.445 172.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.259 1.423 . . . . 0.0 110.722 -176.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 121.043 0.449 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 109.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 121.065 -1.022 . . . . 0.0 108.254 170.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 154.4 17.33 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.229 1.012 . . . . 0.0 110.34 164.74 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -104.6 153.91 20.61 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.829 0.852 . . . . 0.0 110.218 168.3 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -140.3 139.25 35.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.603 1.161 . . . . 0.0 111.491 173.051 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.47 124.52 49.73 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.022 1.729 . . . . 0.0 111.363 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 177.07 8.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.626 1.17 . . . . 0.0 111.681 179.05 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.52 -14.96 61.31 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.19 0.41 56.11 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 119.141 0.882 . . . . 0.0 112.752 170.298 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.62 4.02 87.87 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.262 1.41 . . . . 0.0 114.766 -168.396 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.94 120.03 17.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.686 1.243 . . . . 0.0 109.126 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.35 132.72 48.15 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.538 0.685 . . . . 0.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.2 159.93 34.52 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.555 1.542 . . . . 0.0 111.718 178.567 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -110.01 131.62 54.9 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.827 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.44 108.83 31.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 110.198 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -75.18 123.21 7.62 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.662 2.908 . . . . 0.0 111.473 170.819 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.13 143.61 33.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.597 1.959 . . . . 0.0 111.061 171.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 159.39 21.66 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.386 -0.821 . . . . 0.0 111.009 174.579 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.54 -19.93 58.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.58 1.152 . . . . 0.0 113.581 178.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -72.01 -13.38 61.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.943 1.297 . . . . 0.0 113.333 172.041 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.24 167.53 11.77 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.137 2.175 . . . . 0.0 112.289 178.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.92 148.79 47.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.839 1.256 . . . . 0.0 111.716 170.702 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.21 110.13 3.23 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 128.224 2.61 . . . . 0.0 111.491 -172.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.6 149.81 55.99 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.266 2.644 . . . . 0.0 110.715 168.338 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.82 15.51 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.631 1.586 . . . . 0.0 115.458 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.0 p -140.13 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.16 0.98 . . . . 0.0 112.399 171.307 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.97 148.04 23.34 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.331 1.452 . . . . 0.0 112.067 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 125.12 26.23 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.053 -1.029 . . . . 0.0 111.589 -177.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.6 m -95.41 163.7 13.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.927 1.291 . . . . 0.0 113.111 -177.474 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -71.05 -11.02 60.73 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.559 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.83 -17.14 64.41 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.146 0.979 . . . . 0.0 112.568 166.003 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.13 16.09 54.57 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.481 1.515 . . . . 0.0 113.759 -175.541 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.83 149.34 41.69 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.147 1.379 . . . . 0.0 111.659 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -63.77 110.02 1.92 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.991 0.916 . . . . 0.0 110.261 171.25 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.97 148.18 21.42 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.59 1.091 . . . . 0.0 112.331 175.276 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -108.26 138.0 45.28 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.605 -0.938 . . . . 0.0 112.142 175.375 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 126.082 1.753 . . . . 0.0 111.839 -171.111 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.92 0.867 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -83.45 107.27 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.141 0.976 . . . . 0.0 108.641 174.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 162.48 13.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.81 1.244 . . . . 0.0 111.231 168.122 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -113.51 147.75 37.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.141 1.376 . . . . 0.0 110.529 171.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -138.65 142.47 39.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.149 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -110.03 125.06 52.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 111.002 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.22 178.82 7.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.329 1.451 . . . . 0.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.42 -16.34 61.83 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.272 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.12 3.15 55.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.164 0.893 . . . . 0.0 112.951 171.34 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.16 6.63 89.24 Favored Glycine 0 N--CA 1.47 0.939 0 C-N-CA 124.995 1.284 . . . . 0.0 114.634 -168.9 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.57 120.14 17.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.433 1.117 . . . . 0.0 108.385 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -102.46 131.71 48.95 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.106 0.562 . . . . 0.0 111.409 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -127.21 164.15 22.33 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.654 1.582 . . . . 0.0 111.831 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.28 136.5 50.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.413 1.085 . . . . 0.0 110.827 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.67 110.06 33.89 Favored Pre-proline 0 N--CA 1.471 0.589 0 C-N-CA 125.036 1.334 . . . . 0.0 110.118 179.5 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.0 119.4 5.07 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.514 2.81 . . . . 0.0 111.453 172.202 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -102.11 139.98 37.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.555 1.542 . . . . 0.0 111.155 172.231 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 163.61 24.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.578 0.751 . . . . 0.0 112.283 -176.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -50.56 -26.51 5.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.62 1.568 . . . . 0.0 113.961 172.677 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.24 -11.86 59.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.648 1.579 . . . . 0.0 113.917 178.135 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.43 158.7 33.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.782 1.633 . . . . 0.0 113.324 -173.277 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.75 149.14 52.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.183 1.393 . . . . 0.0 111.902 177.398 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.9 mm -65.04 110.16 3.84 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 128.727 2.811 . . . . 0.0 112.607 -170.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.98 150.45 48.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.654 2.902 . . . . 0.0 111.127 166.049 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.97 15.1 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.855 1.693 . . . . 0.0 115.494 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.0 p -139.94 159.43 42.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.123 0.969 . . . . 0.0 112.656 172.443 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.23 148.03 19.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.128 1.371 . . . . 0.0 112.326 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 125.45 26.67 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.794 -1.191 . . . . 0.0 111.94 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -89.53 165.19 14.44 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.498 1.119 . . . . 0.0 112.495 -179.052 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -67.74 -16.1 63.96 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.25 -17.04 63.72 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.161 1.384 . . . . 0.0 113.247 170.514 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.93 12.68 61.78 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.035 1.302 . . . . 0.0 113.696 -174.405 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.3 tpp -112.08 146.2 38.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.594 1.558 . . . . 0.0 110.937 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.32 110.03 3.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.664 0.785 . . . . 0.0 110.475 175.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.53 149.59 22.75 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.382 0.991 . . . . 0.0 113.053 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -107.31 140.63 39.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.91 0.884 . . . . 0.0 111.34 172.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 125.395 1.478 . . . . 0.0 113.142 -176.741 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 mm -88.63 110.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 124.266 1.026 . . . . 0.0 109.13 169.7 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.91 154.41 17.32 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.424 0.631 . . . . 0.0 110.367 162.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -108.19 151.53 25.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.086 0.954 . . . . 0.0 109.594 167.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.58 137.78 38.89 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.878 0.871 . . . . 0.0 111.002 173.711 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -104.18 125.43 50.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 110.965 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -77.91 176.71 8.85 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.786 1.234 . . . . 0.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.36 -12.13 59.99 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.339 -0.851 . . . . 0.0 112.463 -178.57 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.96 11.53 33.61 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.105 1.762 . . . . 0.0 111.711 175.067 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.77 0.55 89.51 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 126.427 1.965 . . . . 0.0 115.087 -178.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.83 120.1 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.261 0.624 . . . . 0.0 110.072 -167.152 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -102.42 130.46 49.2 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.706 0.765 . . . . 0.0 112.071 -177.753 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -129.95 160.21 34.29 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.379 1.471 . . . . 0.0 111.677 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.99 132.79 53.84 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.474 1.11 . . . . 0.0 110.723 -173.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 t -120.11 109.57 37.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.121 0.968 . . . . 0.0 109.123 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.16 128.33 10.51 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.027 2.484 . . . . 0.0 110.736 173.175 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -116.07 143.92 44.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.817 1.647 . . . . 0.0 110.807 175.268 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 159.82 19.25 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.246 -0.909 . . . . 0.0 111.024 173.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.73 -20.0 60.21 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.579 1.151 . . . . 0.0 113.523 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -13.76 61.74 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.834 1.254 . . . . 0.0 113.356 172.276 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.41 162.67 17.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.739 2.016 . . . . 0.0 112.456 178.795 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.32 139.43 48.18 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.863 1.265 . . . . 0.0 111.362 173.497 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -59.14 110.2 2.49 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 128.244 2.617 . . . . 0.0 111.932 -174.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.4 149.93 51.35 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.376 2.717 . . . . 0.0 110.941 168.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -30.01 15.67 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.681 1.61 . . . . 0.0 115.589 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -139.92 160.4 40.0 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.235 1.017 . . . . 0.0 112.369 171.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -157.52 148.09 21.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.135 1.374 . . . . 0.0 112.368 -178.528 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 125.89 27.79 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.875 -1.141 . . . . 0.0 111.736 -178.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.7 m -94.38 165.57 12.5 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.886 1.275 . . . . 0.0 113.113 -178.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -66.47 -20.01 65.94 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -69.08 -17.11 63.83 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.632 0.773 . . . . 0.0 112.895 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.65 13.91 54.18 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.633 1.587 . . . . 0.0 114.012 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 tpt -110.74 148.54 32.1 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.894 1.678 . . . . 0.0 110.855 175.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.58 110.06 3.53 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.608 -0.682 . . . . 0.0 109.833 171.459 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.51 26.53 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.598 1.094 . . . . 0.0 112.305 176.095 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.1 m -106.25 138.2 42.85 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.93 -0.747 . . . . 0.0 111.867 174.094 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 125.624 1.57 . . . . 0.0 115.025 -175.297 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.487 0.66 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.38 108.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 155.3 16.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.229 1.012 . . . . 0.0 110.436 164.494 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -105.61 151.73 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.978 0.911 . . . . 0.0 110.489 168.688 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.3 137.76 37.74 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.299 1.039 . . . . 0.0 111.445 173.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -104.82 124.09 48.83 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.819 1.647 . . . . 0.0 111.259 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.77 177.89 7.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.09 1.356 . . . . 0.0 111.697 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.17 -16.03 61.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.77 2.54 55.94 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.232 0.924 . . . . 0.0 112.899 171.434 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.04 88.68 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 125.14 1.352 . . . . 0.0 114.753 -169.272 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.87 120.05 18.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.515 1.157 . . . . 0.0 108.841 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -102.42 132.24 48.56 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.479 0.656 . . . . 0.0 112.35 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.07 160.9 32.3 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -109.96 133.28 53.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.721 1.208 . . . . 0.0 110.998 -176.611 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 t -121.12 109.84 35.04 Favored Pre-proline 0 N--CA 1.47 0.526 0 C-N-CA 124.376 1.071 . . . . 0.0 109.456 178.278 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.5 118.42 3.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.218 2.612 . . . . 0.0 111.13 173.305 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -101.39 141.38 34.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.888 1.675 . . . . 0.0 111.271 174.307 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.74 26.51 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.375 -0.828 . . . . 0.0 111.028 174.505 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.34 -19.97 50.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.823 1.249 . . . . 0.0 113.749 178.856 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.08 -12.57 61.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.872 1.269 . . . . 0.0 113.369 172.321 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.83 160.84 23.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.812 2.045 . . . . 0.0 112.665 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.08 141.04 50.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.06 1.344 . . . . 0.0 111.304 174.01 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -57.3 110.07 2.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 128.205 2.602 . . . . 0.0 111.677 -173.723 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.66 150.05 49.99 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.325 2.683 . . . . 0.0 110.689 168.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.95 -29.91 14.96 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.552 -179.184 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -140.33 159.76 41.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.295 1.048 . . . . 0.0 112.329 171.343 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -156.97 148.0 21.87 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.294 1.438 . . . . 0.0 112.058 -179.02 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 125.12 25.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.976 -1.078 . . . . 0.0 111.636 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.6 m -92.04 165.08 13.37 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.486 1.115 . . . . 0.0 112.736 -178.689 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -64.77 -19.47 65.83 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.06 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -67.74 -17.03 64.41 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.896 1.278 . . . . 0.0 113.0 172.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.86 13.44 60.84 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.243 1.402 . . . . 0.0 113.758 -174.725 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -113.29 147.48 37.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.708 1.603 . . . . 0.0 111.158 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.71 109.97 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.654 0.782 . . . . 0.0 110.301 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.12 149.39 22.98 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.422 1.01 . . . . 0.0 112.81 176.568 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.9 m -109.09 137.89 46.29 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.941 0.897 . . . . 0.0 112.022 174.778 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 126.188 1.795 . . . . 0.0 111.769 -171.033 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.54 0.686 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.64 107.85 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.465 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.54 14.28 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.544 1.138 . . . . 0.0 110.745 166.023 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -113.02 151.17 30.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.744 1.218 . . . . 0.0 110.855 172.176 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -141.23 142.1 33.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.322 1.049 . . . . 0.0 111.689 175.76 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -109.97 124.26 51.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.973 2.109 . . . . 0.0 110.813 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -80.96 179.03 8.04 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.11 1.364 . . . . 0.0 111.633 -177.302 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.81 -16.4 62.17 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.658 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.38 3.09 55.76 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.162 0.892 . . . . 0.0 112.814 170.867 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 8.8 87.22 Favored Glycine 0 N--CA 1.469 0.899 0 C-N-CA 125.058 1.313 . . . . 0.0 114.884 -168.768 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.37 120.0 19.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.564 1.182 . . . . 0.0 108.666 -179.338 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.56 129.95 49.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.749 0.819 . . . . 0.0 112.078 -177.381 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -128.97 162.7 26.99 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.468 1.507 . . . . 0.0 112.045 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mp0 -109.92 133.95 52.62 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.682 1.193 . . . . 0.0 111.144 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.19 110.09 34.73 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.674 1.19 . . . . 0.0 109.892 178.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.91 120.12 4.96 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.53 2.82 . . . . 0.0 111.739 172.765 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -103.0 141.93 34.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.262 1.825 . . . . 0.0 111.554 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.56 158.68 25.69 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.403 -0.811 . . . . 0.0 111.241 175.33 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.65 -19.95 52.78 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.844 1.258 . . . . 0.0 113.758 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.98 -13.4 61.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.817 1.247 . . . . 0.0 113.353 172.281 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.83 161.79 20.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.717 2.007 . . . . 0.0 112.824 -178.302 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.13 143.14 50.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.16 1.384 . . . . 0.0 111.334 173.069 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.44 110.17 2.67 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 128.142 2.577 . . . . 0.0 111.488 -172.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -69.59 152.75 70.22 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.354 2.703 . . . . 0.0 111.024 168.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.86 15.66 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.802 1.191 . . . . 0.0 115.193 177.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 p -142.12 159.79 41.53 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.255 1.028 . . . . 0.0 112.886 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -157.93 148.03 20.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.227 1.411 . . . . 0.0 112.514 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 125.16 25.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.856 -1.153 . . . . 0.0 111.808 -179.694 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.97 165.73 13.06 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 -177.594 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -64.28 -20.31 65.98 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.042 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.17 -17.16 64.72 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.806 1.242 . . . . 0.0 113.123 173.254 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 14.48 59.13 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.194 1.378 . . . . 0.0 113.581 -174.493 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -115.07 147.54 40.04 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 111.325 178.047 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.47 110.01 3.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 110.431 174.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 148.67 21.14 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.487 1.041 . . . . 0.0 112.94 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.9 m -108.29 138.53 44.42 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.032 0.933 . . . . 0.0 111.758 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 125.666 1.586 . . . . 0.0 111.927 -172.439 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.39 109.91 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 121.035 -1.041 . . . . 0.0 108.739 172.439 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 159.8 14.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.177 0.991 . . . . 0.0 110.991 166.493 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -111.91 149.35 32.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.869 1.268 . . . . 0.0 110.423 171.155 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -139.18 142.94 37.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.312 1.045 . . . . 0.0 110.911 176.549 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.9 125.8 53.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.319 1.847 . . . . 0.0 111.14 -178.379 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.2 p -79.45 177.89 8.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.821 1.248 . . . . 0.0 111.556 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.44 -15.97 61.82 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.164 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 1.81 55.39 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.138 0.881 . . . . 0.0 112.832 170.773 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.79 7.55 87.88 Favored Glycine 0 N--CA 1.469 0.863 0 C-N-CA 125.025 1.298 . . . . 0.0 114.644 -168.49 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.87 120.07 18.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.737 1.268 . . . . 0.0 108.787 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -102.51 129.92 49.19 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.479 0.712 . . . . 0.0 111.511 -176.558 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -126.8 162.72 25.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.991 1.716 . . . . 0.0 111.509 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.96 138.53 46.21 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.228 1.011 . . . . 0.0 110.684 177.337 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.1 t -123.53 110.04 30.44 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.725 1.21 . . . . 0.0 110.203 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.88 123.55 6.89 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.483 2.789 . . . . 0.0 111.703 173.067 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -108.46 143.3 37.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.393 1.877 . . . . 0.0 111.181 173.873 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 159.27 20.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.915 172.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.41 -19.89 57.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.49 1.116 . . . . 0.0 113.677 178.822 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -12.42 61.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.797 1.239 . . . . 0.0 113.288 172.206 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.62 162.54 18.22 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.837 2.055 . . . . 0.0 112.407 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -132.3 140.68 48.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.944 1.297 . . . . 0.0 111.259 173.667 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.1 mm -58.91 110.22 2.48 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 128.044 2.538 . . . . 0.0 111.79 -174.074 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.36 153.05 66.49 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.36 2.707 . . . . 0.0 111.184 168.037 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.94 15.62 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.893 1.235 . . . . 0.0 115.109 175.836 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.2 p -142.19 159.75 41.61 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.299 1.049 . . . . 0.0 113.276 174.247 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -157.02 147.91 21.72 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.914 1.286 . . . . 0.0 112.642 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 124.79 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.039 -1.038 . . . . 0.0 111.566 -178.914 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.24 163.5 13.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.741 1.216 . . . . 0.0 112.911 -177.571 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -69.1 -12.26 61.52 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -174.561 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.24 -17.12 64.22 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.199 1.0 . . . . 0.0 112.759 167.51 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.91 14.21 58.18 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.436 1.493 . . . . 0.0 113.743 -174.807 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -115.63 148.8 39.23 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 177.563 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -62.84 110.08 1.65 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.038 0.935 . . . . 0.0 110.285 171.14 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.46 146.74 21.03 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.205 0.907 . . . . 0.0 112.1 173.716 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.1 m -105.16 140.2 38.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.753 -0.851 . . . . 0.0 111.42 172.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 125.364 1.466 . . . . 0.0 112.22 -178.278 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.76 107.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.327 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.96 13.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.321 1.048 . . . . 0.0 109.978 167.874 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -116.97 155.77 28.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.875 0.87 . . . . 0.0 110.172 168.108 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.106 0.962 . . . . 0.0 111.779 176.282 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -104.39 124.0 48.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.873 1.669 . . . . 0.0 111.753 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -77.36 177.79 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.29 1.436 . . . . 0.0 111.783 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.74 -16.23 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.683 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.82 1.5 55.17 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.082 0.856 . . . . 0.0 112.687 171.303 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.58 7.29 87.66 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.126 1.346 . . . . 0.0 114.723 -168.661 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.91 119.18 18.73 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.814 1.307 . . . . 0.0 108.627 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -102.56 130.89 49.55 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.555 0.742 . . . . 0.0 112.002 -177.785 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.0 163.29 26.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.568 1.547 . . . . 0.0 112.087 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.97 134.3 52.25 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.441 1.496 . . . . 0.0 110.108 -175.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.62 110.08 30.23 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 124.383 1.073 . . . . 0.0 109.798 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.32 124.67 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.647 2.898 . . . . 0.0 111.757 173.425 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -111.02 140.31 45.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.163 1.785 . . . . 0.0 111.96 176.247 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.32 160.94 25.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 0.0 111.547 175.052 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.91 -19.83 53.89 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.756 1.222 . . . . 0.0 113.747 178.875 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.03 -12.58 61.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.922 1.289 . . . . 0.0 113.211 173.003 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.53 159.86 29.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.487 1.915 . . . . 0.0 112.688 -179.188 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -132.0 136.97 47.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.143 1.377 . . . . 0.0 110.747 176.139 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.35 110.02 1.97 Allowed Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 127.502 2.321 . . . . 0.0 111.626 -171.348 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.3 149.28 56.87 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.213 2.608 . . . . 0.0 110.765 170.627 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.62 -29.94 12.86 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.615 1.579 . . . . 0.0 115.364 -179.359 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.9 p -139.99 159.74 41.49 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.216 1.008 . . . . 0.0 112.288 170.468 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.92 148.06 22.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.538 1.535 . . . . 0.0 112.097 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.71 123.98 22.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.913 -1.117 . . . . 0.0 111.73 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.07 166.46 13.41 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.64 1.176 . . . . 0.0 112.849 -178.266 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -67.93 -17.17 64.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.237 1.015 . . . . 0.0 113.707 -175.297 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.05 -17.1 63.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.091 1.356 . . . . 0.0 113.33 169.868 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.95 16.37 56.27 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.125 1.345 . . . . 0.0 113.89 -175.332 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -116.51 149.14 40.05 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.141 1.377 . . . . 0.0 111.369 176.515 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.84 110.01 3.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.604 0.762 . . . . 0.0 110.549 174.211 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.9 150.36 22.97 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.69 1.138 . . . . 0.0 112.921 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.2 m -108.71 137.81 46.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.837 0.855 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 126.333 1.853 . . . . 0.0 112.041 -169.708 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.455 0.645 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.37 108.44 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 173.464 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 160.02 14.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.645 1.178 . . . . 0.0 110.784 167.511 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.02 150.85 28.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.593 1.157 . . . . 0.0 110.698 170.785 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.51 142.64 37.26 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.443 1.097 . . . . 0.0 111.252 174.647 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -110.11 126.84 54.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 111.047 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.9 p -79.32 176.79 9.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 111.495 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -78.42 -11.61 59.96 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.47 -0.768 . . . . 0.0 112.468 -178.512 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -97.78 11.94 35.54 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.354 1.862 . . . . 0.0 111.631 175.897 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.38 1.17 89.96 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 126.388 1.947 . . . . 0.0 115.051 -178.159 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -84.81 120.1 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.584 0.692 . . . . 0.0 110.141 -167.216 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -102.46 129.0 48.83 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.387 0.675 . . . . 0.0 111.496 -174.81 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.98 162.67 28.14 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.575 1.55 . . . . 0.0 112.248 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -110.0 136.67 48.9 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.727 1.211 . . . . 0.0 112.081 -177.15 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.77 110.02 22.47 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.673 1.189 . . . . 0.0 110.669 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -73.9 126.22 10.5 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.933 3.089 . . . . 0.0 111.887 169.691 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.18 142.9 41.08 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.588 1.955 . . . . 0.0 111.315 171.81 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 158.01 22.11 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.414 -0.803 . . . . 0.0 111.375 175.576 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.01 -19.93 55.11 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.125 1.37 . . . . 0.0 113.825 -176.509 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.82 -12.28 60.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.84 160.5 16.7 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.91 2.084 . . . . 0.0 112.224 175.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.84 141.61 49.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.726 1.21 . . . . 0.0 111.104 172.542 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.89 110.12 2.19 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 127.889 2.475 . . . . 0.0 111.28 -173.741 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.59 150.14 56.58 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.318 2.679 . . . . 0.0 110.499 169.532 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.92 15.43 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.378 1.466 . . . . 0.0 115.229 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.96 159.6 41.81 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.196 0.998 . . . . 0.0 112.544 171.9 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.6 t-105 -157.13 148.04 21.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.393 1.477 . . . . 0.0 112.272 -179.562 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 125.33 26.1 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.869 -1.145 . . . . 0.0 111.815 -178.834 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.9 m -94.34 165.89 12.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.608 1.163 . . . . 0.0 113.013 -178.096 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -66.23 -18.89 65.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.325 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -68.69 -17.13 64.02 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.614 0.766 . . . . 0.0 112.825 171.701 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 13.99 57.99 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.478 1.513 . . . . 0.0 114.092 -176.592 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 tpp -110.86 144.77 39.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.374 1.869 . . . . 0.0 110.304 175.665 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -61.8 110.07 1.42 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.872 0.844 . . . . 0.0 110.965 169.111 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.05 148.75 23.48 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.656 1.122 . . . . 0.0 112.332 175.164 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.4 m -106.08 139.06 41.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 111.382 173.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 125.602 1.561 . . . . 0.0 111.062 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.34 168.54 20.24 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.35 1.46 . . . . 0.0 111.898 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.51 151.21 44.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.987 1.315 . . . . 0.0 111.594 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.39 -44.7 74.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.091 0.956 . . . . 0.0 112.266 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -131.0 149.98 52.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.407 2.283 . . . . 0.0 111.344 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -151.78 145.1 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.192 1.397 . . . . 0.0 111.463 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.55 124.38 42.7 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.075 1.35 . . . . 0.0 109.358 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -153.01 151.76 30.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.77 1.628 . . . . 0.0 111.826 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.19 172.48 27.25 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 124.436 1.017 . . . . 0.0 113.284 -167.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 m -136.04 28.34 3.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.294 2.638 . . . . 0.0 112.407 3.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -61.52 -30.9 70.92 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.172 1.389 . . . . 0.0 113.351 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -94.71 16.4 15.81 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.966 1.706 . . . . 0.0 112.439 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.19 -164.66 38.71 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.031 1.301 . . . . 0.0 113.168 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.93 164.55 33.38 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.878 2.471 . . . . 0.0 112.053 1.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.33 154.38 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.602 1.161 . . . . 0.0 112.635 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -90.19 168.35 12.01 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.338 1.455 . . . . 0.0 112.533 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 46.5 p90 52.88 -177.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.749 2.42 . . . . 0.0 116.107 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.52 53.19 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.343 1.457 . . . . 0.0 112.374 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -77.92 142.27 38.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.358 1.063 . . . . 0.0 111.539 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -154.1 154.22 33.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.888 1.275 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -57.28 -22.89 44.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.5 -15.78 41.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.912 1.285 . . . . 0.0 113.799 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.46 -17.25 64.15 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.616 1.167 . . . . 0.0 113.693 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 58.89 -179.8 0.08 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.685 1.994 . . . . 0.0 114.329 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -120.59 149.18 42.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.966 1.706 . . . . 0.0 111.109 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.1 163.47 34.96 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 125.997 1.719 . . . . 0.0 111.495 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.95 114.02 1.67 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.294 3.329 . . . . 0.0 112.838 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -141.15 168.94 18.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.863 1.665 . . . . 0.0 114.419 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 112.0 13.71 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.366 2.666 . . . . 0.0 109.037 176.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mm -88.81 107.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.92 164.53 12.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.88 0.872 . . . . 0.0 111.291 170.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -116.27 152.95 32.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.986 1.314 . . . . 0.0 110.553 168.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -141.39 141.56 33.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.171 0.988 . . . . 0.0 111.646 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -108.06 122.99 48.01 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.11 1.764 . . . . 0.0 111.041 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -76.72 177.77 7.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.039 1.335 . . . . 0.0 111.668 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.45 -16.96 61.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.77 4.7 46.59 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.082 0.855 . . . . 0.0 112.515 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.27 2.16 90.54 Favored Glycine 0 N--CA 1.47 0.928 0 C-N-CA 124.777 1.18 . . . . 0.0 114.598 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.69 120.11 16.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.196 0.998 . . . . 0.0 108.868 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.39 134.16 46.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.384 0.611 . . . . 0.0 111.373 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 94.2 m-85 -129.03 163.75 24.72 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.343 1.457 . . . . 0.0 111.585 177.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 135.86 50.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.39 110.03 28.66 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 124.928 1.291 . . . . 0.0 110.408 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -70.92 130.04 17.29 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.231 3.287 . . . . 0.0 111.587 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -115.93 141.97 47.4 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.239 1.815 . . . . 0.0 111.0 171.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.9 162.55 20.47 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.264 -0.897 . . . . 0.0 111.758 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -59.51 -20.63 56.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.254 1.022 . . . . 0.0 113.587 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.01 -11.22 60.67 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.868 1.267 . . . . 0.0 113.478 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.79 171.55 12.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.663 1.985 . . . . 0.0 113.177 -174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.09 171.13 13.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.697 1.999 . . . . 0.0 111.382 171.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -88.7 110.02 34.12 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 127.424 2.29 . . . . 0.0 109.928 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.26 151.53 60.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.575 2.85 . . . . 0.0 110.673 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -29.91 15.51 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.58 1.562 . . . . 0.0 115.149 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.7 p -139.98 159.43 42.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.319 1.059 . . . . 0.0 112.47 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -157.68 148.03 20.74 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.635 1.574 . . . . 0.0 111.837 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.6 125.76 27.69 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.919 -1.113 . . . . 0.0 111.832 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.1 m -89.72 160.8 16.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.43 1.092 . . . . 0.0 112.215 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -66.41 -15.68 63.5 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.0 -17.12 64.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.87 1.268 . . . . 0.0 112.824 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.45 11.64 60.64 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.491 1.519 . . . . 0.0 113.646 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -114.47 147.31 39.52 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.541 1.136 . . . . 0.0 111.836 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.45 110.03 2.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.058 0.943 . . . . 0.0 111.16 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.52 148.94 20.83 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.639 1.114 . . . . 0.0 112.604 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.0 m -107.5 138.82 43.02 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.709 -0.877 . . . . 0.0 111.659 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 121.74 12.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.596 1.559 . . . . 0.0 111.399 -173.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.486 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -128.98 154.06 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.97 1.708 . . . . 0.0 111.279 172.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.94 136.74 33.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.659 -0.651 . . . . 0.0 111.768 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.32 5.58 82.74 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.689 1.138 . . . . 0.0 114.91 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.62 169.15 21.0 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.516 2.326 . . . . 0.0 110.223 -174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.94 161.54 61.46 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.431 1.892 . . . . 0.0 114.72 -167.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.38 -47.17 6.27 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.881 2.387 . . . . 0.0 114.605 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.92 59.77 31.0 Favored Pre-proline 0 CA--C 1.556 1.206 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -63.5 -174.89 0.23 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.82 3.013 . . . . 0.0 112.885 146.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -72.63 98.63 2.38 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.141 -0.975 . . . . 0.0 109.609 162.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -148.02 138.2 22.74 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.913 1.685 . . . . 0.0 111.44 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.06 157.79 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.809 1.644 . . . . 0.0 111.857 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -69.5 -59.68 4.61 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.987 1.315 . . . . 0.0 113.596 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.47 154.21 60.86 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 122.834 2.356 . . . . 0.0 113.895 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.66 -28.51 6.5 Favored 'Cis proline' 0 CA--C 1.541 0.87 0 CA-C-N 119.05 0.697 . . . . 0.0 113.759 -1.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.425 1.89 . . . . 0.0 112.132 -174.727 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 77.8 mtm -98.4 -32.87 11.28 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.998 2.519 . . . . 0.0 113.121 -3.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.92 -43.62 44.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.584 0.753 . . . . 0.0 112.088 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -84.2 132.5 34.66 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.129 0.972 . . . . 0.0 110.548 170.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -108.22 154.1 22.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.54 1.536 . . . . 0.0 111.519 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -148.02 149.66 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.634 1.574 . . . . 0.0 110.932 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.43 40.48 0.72 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.187 1.395 . . . . 0.0 112.652 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 -138.16 160.05 40.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.787 2.035 . . . . 0.0 111.477 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.51 165.48 47.14 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.32 0.962 . . . . 0.0 113.998 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -146.91 157.5 43.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.283 1.433 . . . . 0.0 112.035 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -94.44 3.08 55.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.609 1.564 . . . . 0.0 113.564 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.36 107.9 10.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.174 0.99 . . . . 0.0 109.934 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.31 -52.04 2.18 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.597 1.57 . . . . 0.0 114.321 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.88 162.93 27.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.264 1.426 . . . . 0.0 112.466 173.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -132.16 155.82 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.707 1.603 . . . . 0.0 112.302 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 t -149.93 141.1 23.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.065 1.346 . . . . 0.0 111.322 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -152.65 160.65 43.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.353 1.461 . . . . 0.0 111.983 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.41 103.07 6.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.757 0.823 . . . . 0.0 110.849 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -77.41 134.83 38.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 0.0 110.406 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -81.36 39.85 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.093 1.357 . . . . 0.0 113.671 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -67.81 121.28 15.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.65 1.18 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.29 -1.26 2.91 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -97.2 19.63 12.73 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.41 1.884 . . . . 0.0 113.058 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.12 159.11 24.11 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.224 1.809 . . . . 0.0 113.969 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 25' ' ' LEU 0.263 2.2 pt? -79.71 69.95 6.12 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.919 1.687 . . . . 0.0 114.721 -171.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.34 71.13 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 126.078 1.751 . . . . 0.0 110.991 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -78.14 69.81 7.38 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 122.688 2.259 . . . . 0.0 114.546 -166.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -141.06 165.81 26.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.094 1.757 . . . . 0.0 113.292 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.64 109.61 9.31 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.232 2.213 . . . . 0.0 109.144 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.13 106.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 157.73 15.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.819 0.847 . . . . 0.0 110.634 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -112.72 149.73 32.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.631 1.172 . . . . 0.0 110.528 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.81 142.47 34.63 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.49 1.116 . . . . 0.0 111.559 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -109.86 125.83 53.19 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.317 1.847 . . . . 0.0 111.13 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -79.41 178.54 8.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.048 1.339 . . . . 0.0 111.841 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.59 -16.58 61.73 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.75 2.71 54.51 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.15 0.886 . . . . 0.0 112.8 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 7.49 88.32 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.064 1.316 . . . . 0.0 114.694 -168.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.02 119.98 18.98 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.601 1.2 . . . . 0.0 108.572 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -102.46 131.01 49.41 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.662 0.785 . . . . 0.0 111.587 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -130.03 163.78 25.75 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.443 1.497 . . . . 0.0 112.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -109.9 136.84 48.55 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.731 1.213 . . . . 0.0 111.917 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -125.51 110.02 25.98 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.403 1.481 . . . . 0.0 110.047 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.71 130.05 16.44 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.238 3.292 . . . . 0.0 111.97 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -116.9 144.04 44.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.437 1.895 . . . . 0.0 111.355 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.15 159.43 20.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.222 -0.923 . . . . 0.0 111.381 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.08 -19.95 62.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.26 -12.94 61.38 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.921 1.288 . . . . 0.0 113.433 171.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.5 172.88 7.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.13 2.172 . . . . 0.0 112.699 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -131.1 165.84 22.37 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.995 1.718 . . . . 0.0 110.766 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -87.2 110.03 30.17 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 127.374 2.27 . . . . 0.0 109.516 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.38 151.69 60.03 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.488 2.792 . . . . 0.0 110.512 168.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.8 15.56 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.392 1.472 . . . . 0.0 115.073 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.9 p -140.05 159.4 42.27 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.154 0.977 . . . . 0.0 112.579 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -157.75 148.09 20.68 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.615 1.566 . . . . 0.0 111.748 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 126.3 28.9 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.894 -1.129 . . . . 0.0 111.716 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 63.1 m -91.19 165.48 13.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.501 1.12 . . . . 0.0 112.658 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -68.03 -16.53 64.08 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.329 1.052 . . . . 0.0 113.818 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.77 -17.13 63.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.084 1.354 . . . . 0.0 113.254 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.27 60.92 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.116 1.341 . . . . 0.0 113.796 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.7 148.57 34.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.089 1.355 . . . . 0.0 111.233 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 110.05 3.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.808 0.843 . . . . 0.0 110.356 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.76 148.72 21.92 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.526 1.06 . . . . 0.0 112.775 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.4 m -106.88 138.49 42.95 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.861 0.864 . . . . 0.0 111.58 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 121.33 11.58 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.57 1.548 . . . . 0.0 111.055 -175.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.96 153.58 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.76 1.624 . . . . 0.0 112.092 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -71.89 138.14 47.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.45 0.7 . . . . 0.0 111.829 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 49.09 0.09 OUTLIER Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.547 0.594 . . . . 0.0 113.493 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -142.6 125.5 16.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.299 1.44 . . . . 0.0 110.492 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.16 146.12 34.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.777 1.631 . . . . 0.0 111.144 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -80.05 64.61 8.89 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.428 3.419 . . . . 0.0 111.759 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 37.03 69.19 1.37 Allowed Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.848 2.459 . . . . 0.0 114.828 -176.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -48.97 140.0 24.7 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 124.407 3.404 . . . . 0.0 114.967 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -147.05 163.05 37.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.025 1.73 . . . . 0.0 110.529 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 49.27 39.95 17.06 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.593 1.557 . . . . 0.0 113.087 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.294 31.2 m 46.66 35.1 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 127.493 2.317 . . . . 0.0 115.137 -173.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -127.3 104.19 22.35 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.363 1.465 . . . . 0.0 111.536 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.8 163.42 47.73 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 CA-C-N 119.319 0.793 . . . . 0.0 112.791 -15.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -66.8 -28.24 43.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.893 2.395 . . . . 0.0 115.076 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.314 1.846 . . . . 0.0 111.48 -177.494 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.1 mtm -74.73 159.97 31.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.924 0.89 . . . . 0.0 112.642 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.19 164.93 25.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.215 1.806 . . . . 0.0 111.16 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 58.72 -169.88 0.13 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.609 1.164 . . . . 0.0 112.354 -168.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -61.76 139.16 58.36 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.448 -1.407 . . . . 0.0 110.706 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 m -96.36 122.51 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -168.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.6 mt 56.78 19.95 4.8 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.683 2.393 . . . . 0.0 116.006 170.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -139.59 155.95 47.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.122 1.369 . . . . 0.0 113.473 -168.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.19 10.99 0.09 OUTLIER Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.098 1.333 . . . . 0.0 115.115 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p -80.84 160.45 24.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.061 1.345 . . . . 0.0 113.153 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 51.61 46.38 26.61 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -160.68 126.96 4.05 Favored 'General case' 0 CA--C 1.542 0.638 1 C-N-CA 132.504 4.322 . . . . 0.0 109.807 -8.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.63 -56.28 2.09 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.18 1.848 . . . . 0.0 115.96 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.29 14.42 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.494 1.518 . . . . 0.0 114.569 -170.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.7 t 65.88 141.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 128.903 2.881 . . . . 0.0 115.428 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 p -126.67 134.04 50.81 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.288 1.835 . . . . 0.0 111.178 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -158.29 174.26 15.42 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.35 1.46 . . . . 0.0 111.172 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.51 5.11 0.85 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m 54.2 60.86 3.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.705 1.602 . . . . 0.0 112.908 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.29 148.66 31.29 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -87.54 -2.95 58.96 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -169.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.86 161.06 21.91 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.909 1.231 . . . . 0.0 111.716 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -75.53 22.01 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.106 2.262 . . . . 0.0 117.106 -156.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -148.59 161.26 42.05 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.798 1.239 . . . . 0.0 112.277 169.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.5 mt -102.64 111.31 23.57 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.104 1.362 . . . . 0.0 110.127 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.72 128.8 3.4 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 126.492 1.917 . . . . 0.0 108.661 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -56.85 104.27 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.123 3.216 . . . . 0.0 114.228 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -141.16 164.33 30.55 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.67 101.96 4.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.478 2.711 . . . . 0.0 110.072 -176.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.73 110.0 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 120.824 -1.173 . . . . 0.0 108.451 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 163.39 12.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.687 1.195 . . . . 0.0 111.326 166.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -113.97 149.54 35.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.165 1.386 . . . . 0.0 110.624 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.14 142.92 38.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.078 0.951 . . . . 0.0 111.287 175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -109.04 124.88 51.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.72 2.008 . . . . 0.0 111.074 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -80.4 178.95 7.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.201 1.4 . . . . 0.0 111.54 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.69 -16.56 61.68 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.09 2.88 54.76 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.165 0.893 . . . . 0.0 112.781 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.59 7.82 88.16 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.154 1.359 . . . . 0.0 114.772 -168.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.57 120.11 18.72 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.472 1.136 . . . . 0.0 108.498 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.56 132.43 48.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.323 0.649 . . . . 0.0 112.013 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.35 163.16 26.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.443 1.497 . . . . 0.0 112.054 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 136.05 49.84 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.793 1.237 . . . . 0.0 111.509 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.13 109.98 27.05 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.217 1.407 . . . . 0.0 110.891 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -73.76 123.0 8.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.913 3.075 . . . . 0.0 111.996 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -105.33 142.84 34.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.413 1.885 . . . . 0.0 111.144 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.18 159.65 20.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.313 -0.867 . . . . 0.0 110.962 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.87 -19.88 60.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.262 1.025 . . . . 0.0 113.59 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.98 -12.3 61.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.76 1.224 . . . . 0.0 113.214 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.68 167.38 11.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.106 2.162 . . . . 0.0 112.088 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -135.89 148.0 48.4 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.815 1.246 . . . . 0.0 111.469 170.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -62.74 110.13 3.11 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 128.015 2.526 . . . . 0.0 111.631 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.87 150.46 55.45 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.352 2.701 . . . . 0.0 110.86 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.81 15.49 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.594 1.568 . . . . 0.0 115.173 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.97 159.38 42.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.122 0.961 . . . . 0.0 112.937 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.11 148.06 21.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.056 1.342 . . . . 0.0 112.343 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 125.16 25.8 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.946 -1.096 . . . . 0.0 111.687 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.8 m -91.46 165.75 13.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.599 1.159 . . . . 0.0 112.867 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -68.55 -16.37 63.85 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.64 -17.09 64.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.057 1.343 . . . . 0.0 113.173 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 13.35 60.71 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.172 1.368 . . . . 0.0 113.82 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.5 148.67 33.97 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.041 1.336 . . . . 0.0 111.258 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.24 110.01 2.87 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.857 0.863 . . . . 0.0 110.205 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.35 148.48 21.34 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.385 0.993 . . . . 0.0 112.501 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 m -106.3 140.25 39.53 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.787 -0.831 . . . . 0.0 111.559 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.01 123.05 15.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.11 1.364 . . . . 0.0 112.049 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.486 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.96 153.22 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.405 1.482 . . . . 0.0 111.862 177.663 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.83 129.25 35.98 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.744 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.4 -24.36 51.25 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.919 1.128 . . . . 0.0 115.919 -169.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.1 19.89 2.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.455 1.128 . . . . 0.0 113.7 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.23 151.35 58.78 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.779 1.632 . . . . 0.0 110.271 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -77.15 36.81 0.55 Allowed 'Trans proline' 0 CA--C 1.551 1.329 0 C-N-CA 124.617 3.545 . . . . 0.0 112.645 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 35.95 59.85 3.04 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 128.702 2.801 . . . . 0.0 114.881 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -77.26 151.28 29.77 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.547 2.832 . . . . 0.0 111.513 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.286 64.8 pttt 49.33 -169.58 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.383 1.473 . . . . 0.0 114.432 172.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -67.18 79.93 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.443 -1.41 . . . . 0.0 111.776 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.292 22.4 m 51.35 30.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 129.124 2.97 . . . . 0.0 117.061 169.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -138.6 152.62 71.27 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 112.135 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.5 Cg_endo -78.49 147.03 81.08 Favored 'Cis proline' 0 CA--C 1.546 1.11 0 CA-C-N 120.043 1.051 . . . . 0.0 113.856 5.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' PRO . 30.0 Cg_exo -64.92 153.18 79.4 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 122.845 2.363 . . . . 0.0 112.555 174.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 129.628 3.171 . . . . 0.0 110.673 -2.462 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -137.04 148.56 46.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 111.095 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.73 -34.51 34.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.718 0.807 . . . . 0.0 112.165 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -81.9 176.43 9.57 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.692 1.597 . . . . 0.0 110.927 165.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -33.5 116.98 0.28 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.26 2.624 . . . . 0.0 113.306 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -79.99 156.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 125.186 1.394 . . . . 0.0 111.836 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt 57.63 15.14 2.7 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.857 2.063 . . . . 0.0 114.808 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -97.51 123.74 41.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.093 1.757 . . . . 0.0 109.877 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.14 3.84 3.76 Favored Glycine 0 CA--C 1.537 1.439 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 -173.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.41 -45.04 96.02 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -120.52 -37.77 2.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 129.437 3.095 . . . . 0.0 114.095 -5.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -114.41 3.19 14.91 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.66 1.184 . . . . 0.0 113.765 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.3 -57.53 2.83 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.824 1.678 . . . . 0.0 113.988 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.27 41.79 0.63 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.178 1.791 . . . . 0.0 113.246 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.88 136.71 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.479 1.512 . . . . 0.0 110.702 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -104.19 60.52 0.72 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.928 1.291 . . . . 0.0 112.261 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -110.0 -5.5 15.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.814 1.646 . . . . 0.0 114.139 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 52.42 33.52 13.25 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.078 1.751 . . . . 0.0 114.035 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m 57.96 32.12 21.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.333 1.453 . . . . 0.0 113.362 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -142.07 168.65 19.25 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.751 1.62 . . . . 0.0 112.146 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -123.63 136.76 54.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.488 1.515 . . . . 0.0 112.425 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.24 124.19 22.78 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.877 1.671 . . . . 0.0 108.215 164.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -99.8 -8.04 24.68 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.2 153.04 36.43 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.133 -0.979 . . . . 0.0 113.072 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -131.73 149.41 52.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.181 1.792 . . . . 0.0 110.674 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.75 152.61 0.11 Allowed Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 127.356 2.263 . . . . 0.0 114.17 -171.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.62 108.73 1.69 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.062 2.508 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -140.97 152.84 45.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.089 1.755 . . . . 0.0 112.156 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.58 101.99 7.16 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.4 1.88 . . . . 0.0 109.936 -168.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.4 mp -88.5 103.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.99 26.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.321 1.049 . . . . 0.0 110.89 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -94.2 151.56 19.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.482 0.713 . . . . 0.0 111.539 174.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -140.52 141.25 35.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.573 1.149 . . . . 0.0 111.589 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -108.29 124.89 51.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.502 1.921 . . . . 0.0 110.99 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -77.67 177.7 7.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.215 1.406 . . . . 0.0 111.333 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.84 -10.49 59.81 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.438 -0.789 . . . . 0.0 112.674 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -99.43 12.12 37.24 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.46 1.904 . . . . 0.0 111.527 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.78 1.21 89.26 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 126.413 1.959 . . . . 0.0 115.096 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.83 120.26 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.483 0.641 . . . . 0.0 109.954 -167.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -102.5 128.4 49.15 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.413 0.625 . . . . 0.0 111.772 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.33 160.78 29.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.641 1.576 . . . . 0.0 111.487 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -110.28 132.58 54.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.478 1.511 . . . . 0.0 111.221 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.78 110.09 29.88 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 125.503 1.521 . . . . 0.0 110.689 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.43 130.04 16.74 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.049 3.166 . . . . 0.0 113.019 170.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -117.77 142.26 47.48 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.185 2.194 . . . . 0.0 111.455 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.16 163.12 18.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.958 0.903 . . . . 0.0 111.356 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.55 -19.94 58.86 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.199 -0.938 . . . . 0.0 113.387 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.95 -10.6 60.01 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.72 1.208 . . . . 0.0 113.093 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.4 160.49 28.06 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.649 1.98 . . . . 0.0 112.493 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.92 139.48 50.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 110.797 172.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.11 110.07 1.89 Allowed Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 127.777 2.431 . . . . 0.0 111.385 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.71 149.81 55.33 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.149 2.566 . . . . 0.0 110.519 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.87 15.14 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.514 1.53 . . . . 0.0 115.19 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -140.04 159.69 41.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.111 0.955 . . . . 0.0 112.339 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -157.21 148.07 21.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.532 1.533 . . . . 0.0 112.008 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 125.91 28.14 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.866 -1.146 . . . . 0.0 111.972 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -92.67 163.97 13.57 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.67 1.188 . . . . 0.0 112.77 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -68.35 -14.98 63.38 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.73 -17.14 64.0 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.506 0.67 . . . . 0.0 112.649 169.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.95 58.31 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.59 1.566 . . . . 0.0 113.912 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.7 tpp -109.91 148.34 31.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.102 1.761 . . . . 0.0 111.179 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.4 110.04 3.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.574 0.75 . . . . 0.0 110.06 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.44 22.69 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.638 1.113 . . . . 0.0 112.559 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.6 m -106.67 139.27 41.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.758 0.823 . . . . 0.0 111.426 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.17 121.83 12.91 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.348 1.459 . . . . 0.0 110.964 -174.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -126.59 155.06 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.963 1.705 . . . . 0.0 111.671 174.527 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -104.89 137.67 42.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.434 1.094 . . . . 0.0 111.898 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.61 -31.55 0.13 Allowed Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.382 0.992 . . . . 0.0 114.137 172.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -148.27 148.7 30.76 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 127.361 2.264 . . . . 0.0 107.769 172.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.0 166.34 22.46 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 130.552 3.541 . . . . 0.0 112.411 10.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.12 -32.03 17.85 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.743 2.295 . . . . 0.0 113.031 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -136.3 59.92 29.68 Favored Pre-proline 0 CA--C 1.555 1.149 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.54 130.73 10.99 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.837 2.358 . . . . 0.0 109.597 162.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 tttt 55.26 -169.98 0.07 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.672 1.589 . . . . 0.0 113.067 -164.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -77.41 64.7 2.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.758 1.623 . . . . 0.0 112.198 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.4 165.64 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.262 1.825 . . . . 0.0 111.959 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -140.47 143.32 32.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 125.796 1.638 . . . . 0.0 110.406 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -55.86 160.35 10.11 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 124.007 3.138 . . . . 0.0 115.104 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -63.34 153.29 75.34 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.174 2.583 . . . . 0.0 112.523 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.052 1.741 . . . . 0.0 111.924 -173.5 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.5 154.77 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.978 0.911 . . . . 0.0 112.129 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.61 -20.96 58.19 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t70 60.92 -26.57 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.892 2.877 . . . . 0.0 116.693 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -130.05 169.65 15.02 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.871 2.468 . . . . 0.0 110.737 176.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.0 77.75 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.122 0.969 . . . . 0.0 109.718 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.79 4.48 47.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.398 1.479 . . . . 0.0 113.884 -176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -77.51 67.04 3.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.608 1.563 . . . . 0.0 112.3 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.22 176.37 26.87 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.842 1.211 . . . . 0.0 113.556 172.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -56.46 -26.08 52.79 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -164.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -82.92 37.93 0.56 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.395 1.478 . . . . 0.0 112.484 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.356 3.0 pp 49.91 30.49 3.99 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.752 2.021 . . . . 0.0 115.047 -171.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.59 70.56 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.702 1.62 . . . . 0.0 116.022 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 35.26 0.48 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 119.439 1.619 . . . . 0.0 113.097 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -81.53 138.65 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.968 1.307 . . . . 0.0 113.062 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -163.25 132.28 4.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.828 2.051 . . . . 0.0 109.785 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -156.21 164.88 37.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.2 105.43 2.94 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.812 0.845 . . . . 0.0 111.07 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -152.71 161.34 42.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.485 1.514 . . . . 0.0 111.473 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.07 126.52 30.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.039 0.936 . . . . 0.0 112.065 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -151.48 -52.5 0.13 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.151 1.38 . . . . 0.0 111.828 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -109.94 155.88 21.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.677 1.591 . . . . 0.0 110.785 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -119.62 1.74 11.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.877 1.271 . . . . 0.0 114.308 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.25 175.65 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.278 1.031 . . . . 0.0 112.924 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.94 130.03 42.44 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.926 1.291 . . . . 0.0 110.223 170.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.94 170.01 8.29 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.621 1.568 . . . . 0.0 111.669 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -68.04 71.25 0.83 Allowed 'Trans proline' 0 CA--C 1.548 1.22 0 C-N-CA 124.623 3.548 . . . . 0.0 114.717 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -140.97 165.78 26.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.975 1.71 . . . . 0.0 114.735 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.75 104.73 6.76 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 128.23 2.612 . . . . 0.0 109.409 -172.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.41 107.41 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 124.211 1.004 . . . . 0.0 108.675 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 161.99 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.675 1.19 . . . . 0.0 110.497 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -114.02 153.97 28.46 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.567 1.147 . . . . 0.0 110.027 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -140.94 138.46 33.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.038 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -104.15 124.23 48.71 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.603 1.961 . . . . 0.0 110.982 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -80.06 178.81 7.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.939 1.296 . . . . 0.0 111.735 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.09 -16.58 61.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.77 2.4 54.93 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.165 0.893 . . . . 0.0 112.694 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.49 8.92 87.06 Favored Glycine 0 C--N 1.341 0.82 0 C-N-CA 125.176 1.37 . . . . 0.0 114.807 -168.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 119.59 18.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.235 . . . . 0.0 108.491 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -102.54 128.48 49.16 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.823 0.849 . . . . 0.0 111.823 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.73 163.29 23.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.273 1.429 . . . . 0.0 111.61 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.97 136.53 49.1 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.276 1.03 . . . . 0.0 110.582 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.4 109.92 30.76 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.797 1.239 . . . . 0.0 109.716 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.15 126.02 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.36 2.707 . . . . 0.0 111.547 172.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -110.18 141.53 42.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.37 1.868 . . . . 0.0 111.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.03 158.78 26.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.662 0.785 . . . . 0.0 111.181 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.39 -19.93 50.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.985 1.314 . . . . 0.0 113.746 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.99 -13.13 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.819 1.248 . . . . 0.0 113.412 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.69 160.22 26.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.684 1.994 . . . . 0.0 112.62 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -131.25 142.41 50.14 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.06 1.344 . . . . 0.0 111.315 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.3 110.01 2.25 Favored Pre-proline 0 N--CA 1.471 0.597 0 C-N-CA 128.026 2.53 . . . . 0.0 111.701 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -72.07 149.8 53.12 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.284 2.656 . . . . 0.0 110.725 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.94 -29.92 14.91 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.718 1.628 . . . . 0.0 115.378 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 p -139.99 159.61 41.79 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.103 0.951 . . . . 0.0 112.351 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -157.68 148.11 20.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.581 1.552 . . . . 0.0 111.907 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 125.19 25.78 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.883 -1.136 . . . . 0.0 111.863 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.17 165.7 14.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.621 1.168 . . . . 0.0 112.606 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -67.98 -17.05 64.31 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -68.63 -17.13 64.05 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.18 1.392 . . . . 0.0 113.31 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.0 14.69 58.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.148 1.356 . . . . 0.0 113.812 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.29 148.57 37.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.043 1.337 . . . . 0.0 111.284 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.94 110.04 3.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.84 0.856 . . . . 0.0 110.468 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.3 150.65 22.12 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.775 1.178 . . . . 0.0 112.974 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -109.61 138.36 46.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.922 0.889 . . . . 0.0 112.073 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.0 121.75 12.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.035 1.734 . . . . 0.0 112.24 -170.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.451 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -127.22 156.15 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 127.052 2.141 . . . . 0.0 109.592 166.376 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.94 123.48 20.32 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.923 -1.11 . . . . 0.0 113.161 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.35 28.19 41.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 129.832 3.586 . . . . 0.0 115.057 -8.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.42 135.04 24.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.787 1.635 . . . . 0.0 109.989 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.3 mt -129.17 108.43 17.91 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.933 1.693 . . . . 0.0 110.615 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -68.67 -37.12 12.89 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.978 2.452 . . . . 0.0 113.166 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -136.99 74.37 50.46 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.733 1.613 . . . . 0.0 113.002 -176.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -54.89 130.12 38.94 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.286 1.991 . . . . 0.0 110.11 157.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -155.11 126.71 7.41 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.656 0.782 . . . . 0.0 112.683 -167.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -142.81 154.65 44.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.597 1.959 . . . . 0.0 110.724 173.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.43 156.82 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.082 1.353 . . . . 0.0 113.45 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -137.84 151.33 70.2 Favored Pre-proline 0 N--CA 1.48 1.041 0 C-N-CA 126.242 1.817 . . . . 0.0 111.094 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.11 153.17 67.6 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.17 2.58 . . . . 0.0 112.671 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -70.02 151.09 67.45 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.621 2.881 . . . . 0.0 112.341 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.369 1.868 . . . . 0.0 111.659 -179.55 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 119.573 -0.251 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.4 ttt -78.21 133.65 37.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.805 1.242 . . . . 0.0 111.605 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.03 141.64 33.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.103 0.961 . . . . 0.0 111.068 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 t0 50.89 44.34 28.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.97 1.308 . . . . 0.0 113.206 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 138.91 56.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.444 1.498 . . . . 0.0 113.57 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.0 143.14 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.281 1.832 . . . . 0.0 110.654 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.9 mt -120.99 142.28 49.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 111.075 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 48.49 39.92 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.312 1.845 . . . . 0.0 113.526 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.89 -161.27 36.68 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.4 1.476 . . . . 0.0 113.521 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.7 p -75.32 43.05 0.22 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.161 1.784 . . . . 0.0 113.967 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -145.14 14.14 1.46 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.203 2.201 . . . . 0.0 113.353 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 tp -74.63 -36.85 62.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.368 1.467 . . . . 0.0 112.944 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.61 -173.34 46.19 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.072 1.32 . . . . 0.0 112.223 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 35.6 0.26 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.161 0.984 . . . . 0.0 113.403 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.29 -31.36 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.857 -1.152 . . . . 0.0 114.075 -166.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -154.09 2.92 0.25 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.856 1.262 . . . . 0.0 113.019 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -158.09 171.09 20.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.293 2.237 . . . . 0.0 109.925 -170.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.28 25.24 0.1 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m 58.04 20.53 6.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.873 1.669 . . . . 0.0 113.866 -170.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 51.68 85.19 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.315 2.246 . . . . 0.0 113.9 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.45 HH12 ' HA ' ' A' ' 69' ' ' ASP . 18.4 mtp180 -94.96 154.23 17.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -140.08 -24.63 0.81 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 114.509 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -164.31 -55.46 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -107.11 149.45 27.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.155 2.982 . . . . 0.0 113.679 -0.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.4 69.81 5.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.546 1.165 . . . . 0.0 109.501 166.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.46 150.53 11.95 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 127.197 2.199 . . . . 0.0 110.274 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.96 69.76 7.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.583 2.188 . . . . 0.0 111.114 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -141.28 170.16 16.26 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.701 1.6 . . . . 0.0 114.148 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.18 120.06 15.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.936 2.494 . . . . 0.0 108.673 168.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.4 mm -96.11 103.72 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.74 166.94 11.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.417 0.687 . . . . 0.0 110.228 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -123.72 152.67 41.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.032 0.933 . . . . 0.0 111.391 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -141.52 138.71 32.94 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.667 1.187 . . . . 0.0 112.631 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -104.14 124.09 48.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.8 2.04 . . . . 0.0 111.499 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -79.24 178.36 8.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.06 1.344 . . . . 0.0 111.781 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.78 -16.74 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.11 2.95 54.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.218 0.917 . . . . 0.0 112.708 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.01 87.05 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.17 1.367 . . . . 0.0 114.813 -169.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.04 119.64 19.48 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.541 1.171 . . . . 0.0 108.434 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -102.56 130.73 49.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.459 0.704 . . . . 0.0 112.203 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.66 163.2 24.77 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.96 1.704 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -109.9 137.69 47.34 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -127.03 110.04 21.78 Favored Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 125.61 1.564 . . . . 0.0 110.366 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -68.81 130.07 19.82 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.225 3.283 . . . . 0.0 113.09 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -120.0 148.35 43.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.055 2.142 . . . . 0.0 111.206 171.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.15 156.8 18.57 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.835 -1.166 . . . . 0.0 110.885 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 -19.99 63.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.099 -1.001 . . . . 0.0 113.603 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.89 -16.83 61.1 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.82 1.248 . . . . 0.0 113.213 172.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.56 177.46 4.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.784 2.034 . . . . 0.0 112.178 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -133.07 165.28 25.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.814 1.646 . . . . 0.0 111.369 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -91.17 107.37 20.79 Favored Pre-proline 0 N--CA 1.47 0.536 0 C-N-CA 126.69 1.996 . . . . 0.0 108.794 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.54 151.1 70.26 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.117 2.544 . . . . 0.0 110.167 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.65 -29.89 13.03 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.563 1.554 . . . . 0.0 115.031 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.4 p -139.97 159.37 42.32 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.261 1.031 . . . . 0.0 112.429 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -157.03 148.11 21.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.87 1.668 . . . . 0.0 111.578 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 126.69 30.32 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.987 -1.071 . . . . 0.0 111.767 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.3 m -90.93 165.16 13.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.648 1.179 . . . . 0.0 112.846 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -69.45 -13.53 62.4 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.4 -17.14 63.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.018 1.327 . . . . 0.0 113.095 168.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 13.05 61.23 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.005 1.288 . . . . 0.0 113.782 -174.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.6 148.83 33.77 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 111.372 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.14 110.12 3.32 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.834 0.854 . . . . 0.0 110.446 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.91 149.82 21.83 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.877 1.227 . . . . 0.0 113.038 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.6 m -108.86 137.83 46.16 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.914 0.885 . . . . 0.0 112.081 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.07 122.48 14.48 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.272 1.829 . . . . 0.0 111.899 -170.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -124.61 155.92 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.457 1.903 . . . . 0.0 110.132 166.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -63.02 117.27 6.21 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.231 -0.918 . . . . 0.0 112.958 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.26 -11.1 1.05 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.948 1.261 . . . . 0.0 115.858 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HA ' HH12 ' A' ' 21' ' ' ARG . 22.3 t0 -85.19 33.66 0.55 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.727 1.763 . . . . 0.0 114.109 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.59 160.21 70.22 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 126.973 2.109 . . . . 0.0 111.537 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -72.09 -31.68 4.89 Favored 'Cis proline' 0 C--N 1.357 1.015 0 N-CA-C 117.169 1.95 . . . . 0.0 117.169 10.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -131.21 80.09 69.14 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.553 1.141 . . . . 0.0 112.577 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -72.79 59.82 3.51 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.747 3.631 . . . . 0.0 112.388 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -85.2 50.67 1.99 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.15 2.18 . . . . 0.0 112.166 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -126.62 40.08 3.8 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.467 1.907 . . . . 0.0 112.551 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.87 135.08 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.927 1.691 . . . . 0.0 109.879 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -148.99 152.06 35.84 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.626 1.57 . . . . 0.0 112.29 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.73 164.06 35.7 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 123.247 2.631 . . . . 0.0 111.816 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.81 135.25 54.81 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 123.177 2.585 . . . . 0.0 112.356 172.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 129.197 2.999 . . . . 0.0 111.574 -9.873 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.5 mtt 60.19 -26.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 129.173 2.989 . . . . 0.0 117.802 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.99 29.34 9.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.37 1.868 . . . . 0.0 115.047 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.79 153.78 40.94 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.703 1.201 . . . . 0.0 113.103 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -135.2 150.49 50.12 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.813 1.645 . . . . 0.0 111.499 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.22 163.72 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.283 1.833 . . . . 0.0 111.93 -174.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.2 pt? -68.65 149.53 49.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.008 1.323 . . . . 0.0 112.432 172.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -86.37 149.94 24.67 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.292 1.037 . . . . 0.0 112.179 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.57 159.46 35.46 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.219 1.39 . . . . 0.0 114.808 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m -63.03 -19.11 64.07 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.471 1.508 . . . . 0.0 115.023 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -5.89 2.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.801 1.64 . . . . 0.0 114.913 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.81 -36.04 69.46 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.085 1.354 . . . . 0.0 111.808 164.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.2 52.1 11.92 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.016 0.817 . . . . 0.0 113.013 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.85 118.78 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.328 1.051 . . . . 0.0 112.326 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.302 13.9 m 46.55 21.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 128.302 2.641 . . . . 0.0 116.61 -173.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -152.68 82.68 1.23 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.72 1.608 . . . . 0.0 109.847 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -144.9 159.83 42.28 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.264 1.426 . . . . 0.0 112.645 -172.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.67 110.06 3.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 122.057 0.932 . . . . 0.0 111.348 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -84.42 -9.95 57.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.075 1.35 . . . . 0.0 114.519 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -92.3 153.09 19.45 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.428 1.491 . . . . 0.0 112.712 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -135.13 158.31 44.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.994 1.317 . . . . 0.0 112.304 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -115.48 27.03 9.61 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.368 1.867 . . . . 0.0 113.645 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.96 -31.47 72.67 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 112.55 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -106.72 152.59 23.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.254 1.421 . . . . 0.0 110.527 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.04 141.46 51.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.223 1.409 . . . . 0.0 111.259 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.11 170.0 8.65 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.668 1.587 . . . . 0.0 112.114 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -59.97 69.95 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.065 1 C-N-CA 126.315 4.677 . . . . 0.0 114.093 166.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.1 ptt-85 -97.72 156.12 16.7 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.244 1.817 . . . . 0.0 113.299 -167.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.95 102.75 6.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.255 1.822 . . . . 0.0 108.825 -169.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mm -86.23 106.82 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.89 160.86 14.12 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.574 -0.704 . . . . 0.0 111.4 172.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -113.44 148.59 35.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.154 1.382 . . . . 0.0 110.26 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -139.5 142.72 37.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.01 0.924 . . . . 0.0 111.346 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -108.75 124.73 51.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.639 1.576 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 p -78.85 178.03 8.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.126 1.37 . . . . 0.0 111.681 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.68 -16.6 61.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.79 2.29 53.78 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.225 0.92 . . . . 0.0 112.66 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.42 4.31 89.44 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 125.308 1.432 . . . . 0.0 114.853 -169.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.58 120.15 17.79 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.236 . . . . 0.0 109.074 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -102.49 133.73 46.98 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.202 0.601 . . . . 0.0 111.681 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -128.69 163.02 26.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.147 1.379 . . . . 0.0 111.935 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.02 134.66 51.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.132 1.373 . . . . 0.0 110.59 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 t -125.65 110.02 25.61 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.604 1.562 . . . . 0.0 110.69 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -69.0 130.06 19.57 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.003 3.135 . . . . 0.0 112.371 169.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.14 140.07 47.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.085 1.754 . . . . 0.0 111.275 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.73 164.58 19.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.843 0.857 . . . . 0.0 112.137 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.19 -26.25 27.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.523 1.529 . . . . 0.0 113.839 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.76 -13.85 61.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.355 1.862 . . . . 0.0 114.019 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.69 161.35 31.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.778 1.631 . . . . 0.0 113.73 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -132.01 152.32 51.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.97 1.308 . . . . 0.0 112.602 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.0 110.19 4.28 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 129.369 3.068 . . . . 0.0 112.338 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.68 152.29 69.72 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.416 2.744 . . . . 0.0 111.4 166.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.14 -29.82 15.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.191 1.377 . . . . 0.0 115.328 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.8 p -141.55 160.2 40.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.466 1.106 . . . . 0.0 113.043 173.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -157.28 148.04 21.41 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 112.595 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 123.92 22.4 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.856 -1.153 . . . . 0.0 111.735 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.8 m -88.87 166.2 14.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.492 1.117 . . . . 0.0 112.516 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -20.72 65.22 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.203 1.001 . . . . 0.0 112.608 -174.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -65.09 -17.1 64.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.174 1.39 . . . . 0.0 113.245 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.19 59.6 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.203 1.383 . . . . 0.0 113.733 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.04 148.71 36.57 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.88 1.272 . . . . 0.0 111.565 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.91 110.0 1.96 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 111.195 172.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.84 147.32 19.27 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.423 1.011 . . . . 0.0 112.482 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -106.75 139.78 40.65 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.839 -0.801 . . . . 0.0 111.615 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.95 122.77 15.13 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.24 1.416 . . . . 0.0 112.551 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.3 155.95 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.612 1.565 . . . . 0.0 112.254 176.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -76.56 143.47 40.29 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.675 0.79 . . . . 0.0 111.433 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 55.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.051 1.31 . . . . 0.0 111.513 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.21 -178.8 3.47 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.316 1.846 . . . . 0.0 112.593 -159.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.51 158.81 35.27 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 128.445 2.698 . . . . 0.0 110.756 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.09 -39.77 3.8 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.874 2.382 . . . . 0.0 113.512 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -141.26 59.79 11.06 Favored Pre-proline 0 CA--C 1.557 1.225 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.96 160.96 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.056 3.171 . . . . 0.0 113.124 171.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -91.26 18.19 7.34 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.951 1.7 . . . . 0.0 114.891 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.47 40.0 0.22 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.746 2.418 . . . . 0.0 114.669 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 36.0 m -78.09 146.82 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.852 1.261 . . . . 0.0 113.379 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.99 153.88 92.68 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.712 1.205 . . . . 0.0 112.008 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.21 167.6 23.25 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.999 2.466 . . . . 0.0 111.109 163.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -61.88 131.75 36.57 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.201 1.934 . . . . 0.0 110.96 166.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 126.431 1.892 . . . . 0.0 111.622 -177.348 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.1 ttt -70.83 146.19 49.84 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.967 0.907 . . . . 0.0 111.729 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 -6.6 54.66 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -144.68 161.22 39.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.974 1.71 . . . . 0.0 111.126 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -105.57 19.94 19.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.096 1.759 . . . . 0.0 115.2 -173.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.0 t -126.84 138.58 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.923 2.089 . . . . 0.0 110.668 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.39 158.88 37.06 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.286 1.835 . . . . 0.0 111.663 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -116.34 163.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.213 1.805 . . . . 0.0 111.071 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.05 172.5 55.27 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.289 0.947 . . . . 0.0 114.242 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m 54.2 33.93 19.14 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 -80.0 163.44 24.23 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.817 1.247 . . . . 0.0 112.517 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.18 -25.42 25.68 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.818 0.847 . . . . 0.0 112.496 161.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.62 114.77 4.05 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.966 1.269 . . . . 0.0 114.097 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.73 158.45 30.95 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.524 1.13 . . . . 0.0 112.144 170.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -127.33 157.14 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.529 . . . . 0.0 112.158 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -82.55 13.12 3.9 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -166.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -150.56 156.92 42.33 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.537 1.535 . . . . 0.0 112.743 -168.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.62 105.13 8.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.539 1.135 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 p -84.89 -7.72 59.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.685 1.594 . . . . 0.0 114.631 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.33 157.95 44.52 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.126 1.77 . . . . 0.0 111.429 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.262 40.1 ptt180 45.76 34.53 1.86 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 127.186 2.194 . . . . 0.0 114.736 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.4 p30 -98.37 7.12 46.64 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.901 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -71.18 158.8 35.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.613 1.165 . . . . 0.0 112.154 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -134.26 152.23 51.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.096 1.359 . . . . 0.0 114.122 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -144.54 133.92 23.16 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.314 1.846 . . . . 0.0 110.871 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.53 121.19 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 128.358 2.663 . . . . 0.0 116.174 172.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.59 119.06 6.03 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.93 3.086 . . . . 0.0 111.127 168.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -141.11 169.56 17.39 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.343 1.457 . . . . 0.0 114.756 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.22 113.7 16.01 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 128.721 2.808 . . . . 0.0 108.58 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.64 105.23 15.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 124.006 0.923 . . . . 0.0 108.741 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.07 152.32 18.88 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.487 0.715 . . . . 0.0 110.457 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -104.86 150.99 24.37 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.097 0.959 . . . . 0.0 110.619 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -141.46 142.82 33.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.756 1.222 . . . . 0.0 110.886 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -110.04 125.77 53.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -80.87 178.34 8.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.848 1.259 . . . . 0.0 111.898 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.18 -16.17 61.96 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.55 2.9 56.12 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.165 0.893 . . . . 0.0 112.787 171.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.92 8.72 87.14 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 124.933 1.254 . . . . 0.0 114.581 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.21 120.02 20.13 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.779 1.289 . . . . 0.0 108.574 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -102.53 131.25 49.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.538 0.735 . . . . 0.0 111.241 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -129.84 164.25 24.53 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.421 1.488 . . . . 0.0 112.328 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -109.87 134.03 52.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.763 1.225 . . . . 0.0 110.63 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.02 110.03 40.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 125.13 1.372 . . . . 0.0 109.247 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.56 128.83 13.03 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.282 2.655 . . . . 0.0 111.082 172.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.582 1.553 . . . . 0.0 111.302 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.57 158.79 25.65 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.142 -0.974 . . . . 0.0 111.349 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.87 -19.94 54.24 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.286 1.034 . . . . 0.0 113.752 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.49 -12.82 60.31 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.064 1.345 . . . . 0.0 113.504 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.16 173.68 6.65 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.047 2.139 . . . . 0.0 112.806 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.14 167.32 20.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.113 1.765 . . . . 0.0 111.644 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.35 110.03 37.86 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 127.015 2.126 . . . . 0.0 109.875 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.45 151.7 53.78 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.614 2.876 . . . . 0.0 110.789 168.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.88 15.24 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.656 1.598 . . . . 0.0 115.23 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -140.04 159.29 42.5 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.292 1.046 . . . . 0.0 112.514 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -157.83 147.96 20.44 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 112.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.86 24.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.874 -1.141 . . . . 0.0 111.663 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.2 m -91.81 165.99 12.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.652 1.181 . . . . 0.0 112.838 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -67.43 -15.86 63.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.264 1.026 . . . . 0.0 113.753 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.15 -17.13 63.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.092 1.357 . . . . 0.0 113.273 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.62 61.83 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.016 1.293 . . . . 0.0 113.596 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -113.15 147.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.693 1.597 . . . . 0.0 111.166 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.46 110.05 3.46 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.905 0.882 . . . . 0.0 110.374 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.01 148.54 21.59 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.366 0.984 . . . . 0.0 112.731 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.4 m -108.28 137.77 45.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.947 0.899 . . . . 0.0 111.617 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 121.02 10.83 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.769 1.628 . . . . 0.0 111.025 -174.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.532 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -124.65 155.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.078 1.751 . . . . 0.0 111.232 173.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.83 122.41 14.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.101 0.561 . . . . 0.0 110.66 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.94 -17.26 80.15 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -166.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 62.24 135.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 128.178 2.591 . . . . 0.0 115.427 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.2 mt -130.05 139.2 34.94 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.593 1.557 . . . . 0.0 112.028 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.82 -21.97 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.159 2.573 . . . . 0.0 112.325 165.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -131.4 59.97 49.25 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 125.992 1.717 . . . . 0.0 114.903 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.03 141.12 12.81 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.954 3.103 . . . . 0.0 114.552 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -69.65 141.07 53.69 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.629 1.572 . . . . 0.0 111.96 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -130.5 39.93 3.57 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.61 1.564 . . . . 0.0 112.052 -175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.94 137.05 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.359 1.864 . . . . 0.0 109.377 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -133.98 158.47 75.31 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 125.833 1.653 . . . . 0.0 111.643 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.02 161.16 23.21 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 123.342 2.695 . . . . 0.0 113.938 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.85 -23.91 68.39 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.346 2.697 . . . . 0.0 115.285 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.383 1.873 . . . . 0.0 111.383 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -14.66 58.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -174.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.01 33.37 14.63 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.98 1.712 . . . . 0.0 114.923 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.92 -2.4 58.59 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.721 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 54.02 35.48 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.672 1.989 . . . . 0.0 114.847 174.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.84 137.34 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.936 1.295 . . . . 0.0 110.706 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.42 -5.45 49.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.13 1.372 . . . . 0.0 114.424 -170.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.23 149.74 49.93 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.026 1.73 . . . . 0.0 111.731 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.33 171.3 55.17 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.502 1.049 . . . . 0.0 113.942 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -148.45 171.22 16.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.445 1.498 . . . . 0.0 111.914 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -135.69 86.68 2.26 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.657 1.183 . . . . 0.0 111.504 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.6 tp -141.8 28.34 1.77 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.414 2.686 . . . . 0.0 111.156 -8.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.4 -53.16 2.31 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.096 1.332 . . . . 0.0 112.16 -165.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.38 158.74 31.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.998 1.319 . . . . 0.0 111.784 162.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -84.36 -10.07 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.681 1.192 . . . . 0.0 114.095 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 t -109.2 115.48 30.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.582 1.553 . . . . 0.0 110.672 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -161.51 -170.6 2.66 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.857 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -67.09 70.91 0.09 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.436 1.495 . . . . 0.0 112.481 169.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.4 p -66.05 -11.62 49.68 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.127 1.371 . . . . 0.0 114.411 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.95 44.38 0.39 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.728 2.411 . . . . 0.0 113.276 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -72.52 -22.3 61.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.22 1.408 . . . . 0.0 113.647 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -72.01 149.8 44.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.652 1.181 . . . . 0.0 112.114 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -150.3 162.12 41.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.407 1.483 . . . . 0.0 112.584 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -95.28 163.52 13.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.468 1.107 . . . . 0.0 111.899 166.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.1 mt -91.48 84.66 5.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.19 1.396 . . . . 0.0 111.14 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.98 154.09 37.42 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.583 1.553 . . . . 0.0 112.063 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.59 100.48 1.05 Allowed 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.505 2.803 . . . . 0.0 110.978 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -141.09 169.26 17.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.957 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.99 10.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.999 2.52 . . . . 0.0 108.89 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mm -85.21 106.56 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 168.93 10.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.103 0.961 . . . . 0.0 111.267 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -125.45 152.01 45.48 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 110.767 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -142.03 143.58 33.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.225 1.01 . . . . 0.0 112.303 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -110.05 123.77 50.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.299 2.24 . . . . 0.0 110.851 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.8 p -80.48 178.75 8.11 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 111.692 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.0 -16.09 62.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.3 2.55 56.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.119 0.872 . . . . 0.0 112.755 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.25 9.29 86.74 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.137 1.351 . . . . 0.0 114.825 -168.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.42 119.97 19.34 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.673 1.237 . . . . 0.0 108.477 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -102.55 130.26 49.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.465 0.706 . . . . 0.0 112.113 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.5 163.91 23.08 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.998 1.719 . . . . 0.0 111.686 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 137.3 47.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.28 1.432 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 t -126.96 110.09 21.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.889 1.275 . . . . 0.0 110.95 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -70.16 130.03 18.17 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.445 3.43 . . . . 0.0 112.129 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.42 140.66 49.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.228 1.811 . . . . 0.0 111.525 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 162.55 20.81 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.993 0.917 . . . . 0.0 111.791 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.9 -26.04 45.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.203 1.401 . . . . 0.0 114.626 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.44 -12.69 60.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.793 1.237 . . . . 0.0 114.118 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.46 164.19 14.64 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.783 2.033 . . . . 0.0 112.655 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 149.44 48.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.952 1.301 . . . . 0.0 111.495 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.88 110.12 3.43 Favored Pre-proline 0 C--O 1.239 0.512 0 C-N-CA 127.882 2.473 . . . . 0.0 111.382 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.07 150.33 60.05 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.373 2.715 . . . . 0.0 110.582 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.98 15.78 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.571 1.558 . . . . 0.0 115.144 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.98 159.32 42.45 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.121 0.961 . . . . 0.0 112.558 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -157.62 148.03 20.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.393 1.477 . . . . 0.0 112.353 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.95 125.34 26.47 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.849 -1.157 . . . . 0.0 111.756 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.11 164.29 13.64 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.651 1.18 . . . . 0.0 112.79 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.88 -16.06 63.5 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -67.73 -17.02 64.42 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.264 1.026 . . . . 0.0 112.927 170.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 13.94 60.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.241 1.4 . . . . 0.0 113.63 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.6 tpp -114.85 147.42 39.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.676 1.59 . . . . 0.0 111.398 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.28 110.1 3.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.01 0.924 . . . . 0.0 110.392 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.79 148.86 21.27 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.436 1.017 . . . . 0.0 112.857 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.1 m -107.91 138.61 43.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.231 1.012 . . . . 0.0 111.61 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 121.79 12.73 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.415 1.486 . . . . 0.0 111.945 -171.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.429 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -130.65 156.04 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.06 1.744 . . . . 0.0 112.057 174.099 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.64 151.17 37.81 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.635 -0.666 . . . . 0.0 111.559 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.45 -19.03 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -150.75 155.37 39.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.034 1.733 . . . . 0.0 108.839 169.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.5 152.2 49.27 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.822 1.649 . . . . 0.0 112.112 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.96 69.78 6.86 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 124.291 3.327 . . . . 0.0 111.193 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 42.3 73.31 0.94 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 128.187 2.595 . . . . 0.0 115.297 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.5 172.76 1.31 Allowed 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.814 3.009 . . . . 0.0 114.178 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -61.59 -29.93 70.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.653 1.181 . . . . 0.0 113.795 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? 48.68 62.16 2.71 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.745 2.018 . . . . 0.0 113.256 171.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.6 30.11 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 126.249 1.819 . . . . 0.0 114.82 -173.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -133.62 156.51 79.48 Favored Pre-proline 0 N--CA 1.479 0.998 0 C-N-CA 126.427 1.891 . . . . 0.0 111.852 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -59.28 151.96 63.77 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.309 2.673 . . . . 0.0 113.859 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.14 -15.53 16.19 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.654 2.903 . . . . 0.0 114.156 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.022 1.729 . . . . 0.0 112.157 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.545 0.212 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.1 tpt -97.58 -8.06 29.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.687 1.195 . . . . 0.0 113.488 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.94 156.17 42.86 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.646 1.578 . . . . 0.0 111.481 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -104.57 156.5 17.91 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 128.709 2.804 . . . . 0.0 112.458 -0.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 54.27 27.22 7.66 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 126.84 2.056 . . . . 0.0 115.294 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.7 t -79.98 142.75 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 126.183 1.793 . . . . 0.0 109.261 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -71.72 155.28 40.65 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.667 1.587 . . . . 0.0 113.499 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.38 -169.84 1.65 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.333 1.853 . . . . 0.0 110.296 168.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.66 54.37 0.34 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 124.4 1.0 . . . . 0.0 113.409 167.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 m -61.49 -17.3 53.97 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.379 1.872 . . . . 0.0 115.013 -166.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -67.7 -23.31 65.27 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt 59.79 -67.33 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.501 2.72 . . . . 0.0 114.117 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.0 170.66 54.7 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.969 1.271 . . . . 0.0 113.433 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.24 39.13 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.818 1.247 . . . . 0.0 114.006 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -140.48 125.51 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.621 1.568 . . . . 0.0 109.4 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -91.38 133.11 35.73 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.371 1.068 . . . . 0.0 112.576 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -153.73 -166.47 2.4 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.436 1.894 . . . . 0.0 109.997 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.06 28.5 0.05 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -67.8 -14.18 62.74 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.091 -1.631 . . . . 0.0 114.41 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -114.01 29.91 7.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.7 2.0 . . . . 0.0 112.797 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -59.7 -20.91 59.42 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.373 1.469 . . . . 0.0 114.241 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.2 -41.01 87.52 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.348 1.059 . . . . 0.0 113.049 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -162.43 97.38 0.99 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.615 1.166 . . . . 0.0 111.465 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.81 163.83 38.98 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.873 2.869 . . . . 0.0 110.893 -12.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.14 133.95 34.57 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.938 0.895 . . . . 0.0 111.564 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.3 165.29 17.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 126.492 1.917 . . . . 0.0 110.053 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -60.94 107.25 0.43 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.165 1.91 . . . . 0.0 108.298 157.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -141.04 165.98 26.04 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -165.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.82 110.39 9.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 128.444 2.698 . . . . 0.0 108.629 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mm -89.91 100.98 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.259 -0.9 . . . . 0.0 109.106 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.05 139.47 33.01 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 111.644 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -91.62 150.57 21.1 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.603 0.761 . . . . 0.0 111.249 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -141.64 142.21 33.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -109.34 125.0 51.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.945 1.698 . . . . 0.0 111.471 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -79.46 177.81 8.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.987 1.315 . . . . 0.0 111.67 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.39 -16.11 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -90.75 2.78 55.72 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.179 0.9 . . . . 0.0 112.707 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.63 89.03 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.234 1.397 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.5 120.17 18.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.699 1.249 . . . . 0.0 109.264 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -102.43 132.85 48.19 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.584 0.706 . . . . 0.0 111.912 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -127.84 161.86 28.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.897 1.679 . . . . 0.0 111.622 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -111.04 133.65 53.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.552 1.541 . . . . 0.0 111.388 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 t -123.94 110.02 29.61 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 126.094 1.757 . . . . 0.0 110.399 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -70.03 130.08 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.824 3.016 . . . . 0.0 112.54 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -118.16 141.69 48.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.434 1.893 . . . . 0.0 111.237 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.52 159.38 21.71 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.202 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.25 -19.96 56.9 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.757 1.223 . . . . 0.0 113.63 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.94 -13.13 61.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.902 1.281 . . . . 0.0 113.307 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.97 162.49 18.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.911 2.084 . . . . 0.0 112.35 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -131.83 139.84 48.96 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.897 1.279 . . . . 0.0 111.073 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -56.23 110.15 2.14 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 127.932 2.493 . . . . 0.0 111.323 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.47 149.42 56.09 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.188 2.592 . . . . 0.0 110.447 169.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.88 15.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.49 1.519 . . . . 0.0 115.246 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.97 160.13 40.62 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.063 0.931 . . . . 0.0 112.309 170.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.1 148.14 23.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.506 1.522 . . . . 0.0 111.593 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 124.84 25.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.95 -1.094 . . . . 0.0 111.791 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.79 162.44 14.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.423 1.089 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -69.17 -10.86 59.75 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -68.56 -17.16 64.09 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.283 1.033 . . . . 0.0 112.763 167.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 12.56 61.77 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.212 1.387 . . . . 0.0 113.586 -173.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.9 tpp -113.74 146.54 39.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.678 1.591 . . . . 0.0 111.308 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.15 110.04 3.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.752 0.821 . . . . 0.0 110.312 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.82 148.38 22.54 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.288 0.947 . . . . 0.0 112.652 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.6 m -107.01 138.75 42.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.801 0.841 . . . . 0.0 111.62 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 122.07 13.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.824 1.65 . . . . 0.0 111.074 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.66 155.72 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.785 1.634 . . . . 0.0 111.462 173.11 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 152.72 23.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.036 0.934 . . . . 0.0 111.907 167.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.4 -35.74 0.02 OUTLIER Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.274 0.87 . . . . 0.0 115.274 173.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -152.5 174.62 13.67 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.964 1.706 . . . . 0.0 110.863 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.94 126.82 92.65 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.897 1.679 . . . . 0.0 112.253 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.63 35.27 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.494 3.463 . . . . 0.0 113.914 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 45.52 59.96 14.12 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.978 1.711 . . . . 0.0 112.771 -158.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.75 158.71 54.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.732 2.955 . . . . 0.0 112.902 -173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.5 -32.01 28.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.387 1.075 . . . . 0.0 113.097 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -82.49 39.93 0.63 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.064 1.746 . . . . 0.0 114.022 -170.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.08 29.89 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 126.149 1.78 . . . . 0.0 112.003 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -144.37 143.55 22.39 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 126.419 1.887 . . . . 0.0 110.822 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -59.47 152.48 61.19 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 123.1 2.533 . . . . 0.0 113.997 176.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.07 161.05 47.3 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.682 2.921 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.119 1.368 . . . . 0.0 112.486 176.184 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.98 152.59 37.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.849 1.26 . . . . 0.0 112.076 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.8 -34.53 26.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.458 172.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.33 136.33 24.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.428 1.891 . . . . 0.0 110.44 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -154.64 157.89 38.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.366 3.466 . . . . 0.0 110.899 -8.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -85.76 131.37 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.439 1.095 . . . . 0.0 109.401 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.599 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -87.55 -0.24 56.55 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -168.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -138.09 140.36 39.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.522 1.529 . . . . 0.0 111.444 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.74 164.73 12.27 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.817 1.199 . . . . 0.0 114.768 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -88.94 -20.83 24.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -135.77 4.73 3.07 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.63 -19.91 66.1 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.296 -0.878 . . . . 0.0 113.305 -177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.39 -14.28 61.82 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.26 0.933 . . . . 0.0 114.964 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.35 29.97 2.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.443 1.497 . . . . 0.0 113.32 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.07 136.39 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 126.03 1.732 . . . . 0.0 110.654 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 m -130.77 19.56 5.09 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.458 . . . . 0.0 113.046 -172.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -149.36 161.22 42.5 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.429 1.892 . . . . 0.0 111.431 -169.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.89 45.89 0.75 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.714 1.605 . . . . 0.0 114.61 -171.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m 57.19 87.45 0.06 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.848 2.059 . . . . 0.0 112.619 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -76.43 29.94 0.12 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.347 1.459 . . . . 0.0 114.548 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -9.68 17.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.067 2.147 . . . . 0.0 112.924 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -75.38 154.93 36.92 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.039 1.336 . . . . 0.0 111.883 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.95 153.51 43.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.296 1.038 . . . . 0.0 113.476 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -150.9 167.48 27.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 114.493 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.7 160.11 32.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.216 1.006 . . . . 0.0 109.719 158.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.16 75.42 0.54 Allowed Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.625 1.57 . . . . 0.0 112.822 -173.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.45 111.27 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 124.849 3.7 . . . . 0.0 114.004 -173.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -141.17 169.23 17.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.862 2.065 . . . . 0.0 112.686 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.0 105.94 8.07 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 127.07 2.148 . . . . 0.0 108.87 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mm -85.8 106.21 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 157.1 16.06 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.339 0.656 . . . . 0.0 110.462 172.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -110.48 151.18 27.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.715 1.206 . . . . 0.0 110.614 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -141.47 142.24 33.63 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 111.788 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -110.0 125.95 53.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.378 1.871 . . . . 0.0 111.485 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -80.65 178.07 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.947 1.299 . . . . 0.0 111.875 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.3 -16.0 61.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.22 1.6 56.29 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.132 0.878 . . . . 0.0 112.704 170.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.33 86.41 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 125.106 1.336 . . . . 0.0 114.787 -168.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.82 119.99 20.57 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.039 1.42 . . . . 0.0 109.127 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -102.52 130.15 49.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.835 0.854 . . . . 0.0 111.969 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -130.06 164.07 25.16 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.855 1.662 . . . . 0.0 112.22 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -110.05 136.43 49.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.123 1.369 . . . . 0.0 111.872 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.96 109.95 21.95 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 125.075 1.35 . . . . 0.0 110.773 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.42 130.07 16.79 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.423 3.415 . . . . 0.0 112.339 169.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.363 1.865 . . . . 0.0 111.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.31 160.85 22.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.004 0.921 . . . . 0.0 111.409 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.23 -20.0 56.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.437 1.095 . . . . 0.0 113.632 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.97 -12.66 61.35 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.999 1.32 . . . . 0.0 113.546 172.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.45 23.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.69 1.996 . . . . 0.0 112.644 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -133.15 142.6 48.75 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.124 1.37 . . . . 0.0 111.379 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.36 110.07 2.31 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 128.1 2.56 . . . . 0.0 111.689 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.84 149.44 53.89 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.302 2.668 . . . . 0.0 110.581 169.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.39 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.43 1.49 . . . . 0.0 115.409 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.92 41.08 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.143 0.972 . . . . 0.0 112.01 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -156.5 148.05 22.59 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.127 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 124.27 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.886 -1.134 . . . . 0.0 111.653 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.7 m -95.07 165.43 12.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.692 1.197 . . . . 0.0 112.894 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -64.6 -18.74 65.17 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.3 -17.05 64.61 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.519 1.128 . . . . 0.0 113.147 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 14.66 58.95 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.162 1.363 . . . . 0.0 113.684 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -116.53 148.07 41.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.01 1.724 . . . . 0.0 110.982 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.45 110.06 3.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.427 0.632 . . . . 0.0 110.257 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.6 149.08 26.81 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.295 0.95 . . . . 0.0 112.417 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.6 m -106.83 138.33 43.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.013 0.925 . . . . 0.0 111.664 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 121.8 12.79 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.146 1.778 . . . . 0.0 111.839 -172.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 156.05 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.971 1.708 . . . . 0.0 112.056 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -141.3 135.16 30.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.468 1.107 . . . . 0.0 111.0 168.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.46 18.6 0.09 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.41 19.69 5.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.405 1.482 . . . . 0.0 114.7 -171.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.9 mt -130.11 147.16 64.52 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.233 1.813 . . . . 0.0 111.129 169.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.74 -46.18 0.14 Allowed 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.616 2.211 . . . . 0.0 112.722 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.31 60.02 24.76 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.83 1.652 . . . . 0.0 111.512 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.2 145.54 66.83 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.354 2.703 . . . . 0.0 113.7 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -78.48 -23.13 46.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.89 1.276 . . . . 0.0 112.336 167.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -68.71 114.86 7.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.375 1.87 . . . . 0.0 111.193 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -144.19 143.58 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 126.293 1.837 . . . . 0.0 108.87 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -64.06 139.07 97.59 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 123.9 0.88 . . . . 0.0 111.741 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.8 162.05 36.49 Favored 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 123.046 2.497 . . . . 0.0 112.786 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.18 150.35 71.69 Favored 'Cis proline' 0 C--N 1.353 0.767 0 CA-C-N 119.649 0.91 . . . . 0.0 114.362 -0.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.49 1.516 . . . . 0.0 112.052 -172.015 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 tpt -64.31 139.65 58.79 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.662 1.185 . . . . 0.0 110.93 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.02 129.38 37.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.878 2.871 . . . . 0.0 114.129 2.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -143.18 25.12 1.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.633 1.573 . . . . 0.0 112.16 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -135.18 161.01 36.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.066 1.747 . . . . 0.0 111.869 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.82 22.85 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.792 1.637 . . . . 0.0 114.099 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.56 148.23 50.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.726 1.21 . . . . 0.0 112.775 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -112.67 168.64 9.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.701 2.0 . . . . 0.0 111.949 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.94 -6.08 47.22 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.444 1.497 . . . . 0.0 115.634 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t -82.09 118.53 23.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.777 1.289 . . . . 0.0 110.246 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -146.63 25.13 1.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.826 3.25 . . . . 0.0 113.544 -4.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp 52.97 35.87 20.44 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.398 1.879 . . . . 0.0 113.472 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.52 163.94 27.17 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.889 1.709 . . . . 0.0 112.062 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.31 30.26 7.78 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.372 1.469 . . . . 0.0 114.875 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -147.56 148.88 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.089 1.756 . . . . 0.0 110.976 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m -87.66 130.55 34.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.391 1.076 . . . . 0.0 112.687 -171.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -155.91 168.7 26.4 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.064 1.746 . . . . 0.0 111.619 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.04 109.97 1.23 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.203 1.001 . . . . 0.0 111.336 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -120.16 138.8 53.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.745 1.618 . . . . 0.0 111.016 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.07 56.63 3.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.274 1.43 . . . . 0.0 112.653 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.251 33.3 ptt180 48.93 29.65 2.43 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.526 2.33 . . . . 0.0 115.69 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -125.97 147.67 49.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.851 1.261 . . . . 0.0 113.897 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -125.84 23.27 7.3 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.248 1.819 . . . . 0.0 110.825 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -157.04 170.79 21.73 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.168 2.587 . . . . 0.0 111.873 -170.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.09 157.14 26.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.312 0.645 . . . . 0.0 110.021 157.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 50.0 61.03 14.37 Favored Pre-proline 0 CA--C 1.558 1.251 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.03 151.58 49.26 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 124.356 3.371 . . . . 0.0 114.486 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -141.15 167.87 21.14 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.969 1.707 . . . . 0.0 115.422 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.54 106.66 6.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.448 2.699 . . . . 0.0 109.745 -176.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.08 108.06 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.299 -0.876 . . . . 0.0 108.705 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.87 162.81 13.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.034 0.934 . . . . 0.0 110.671 163.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -120.67 150.13 41.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.074 1.35 . . . . 0.0 111.474 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.92 139.43 34.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.484 1.113 . . . . 0.0 112.076 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -106.47 125.8 51.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.553 1.941 . . . . 0.0 111.25 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -81.71 177.84 8.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.663 1.185 . . . . 0.0 111.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.84 -15.01 61.62 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.0 0.58 56.54 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 119.101 0.864 . . . . 0.0 112.539 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.49 7.19 87.86 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.404 1.478 . . . . 0.0 114.901 -167.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.14 120.04 19.16 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.77 1.285 . . . . 0.0 109.067 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.47 130.34 49.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.797 0.839 . . . . 0.0 111.989 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.73 164.22 22.6 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.133 1.773 . . . . 0.0 111.678 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.05 134.14 54.66 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.115 1.366 . . . . 0.0 110.255 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -122.18 110.05 32.98 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 124.744 1.217 . . . . 0.0 110.362 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.6 120.5 4.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.511 2.808 . . . . 0.0 111.559 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -103.4 144.02 31.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.622 1.969 . . . . 0.0 111.11 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.81 157.68 23.08 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.178 -0.951 . . . . 0.0 111.569 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.73 -20.13 46.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.255 1.422 . . . . 0.0 113.993 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.1 -11.65 56.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.48 160.96 15.01 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.621 1.968 . . . . 0.0 112.017 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -131.9 138.55 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.859 1.264 . . . . 0.0 111.085 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.3 110.14 2.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 C-N-CA 127.786 2.434 . . . . 0.0 111.688 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -72.95 149.83 47.84 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.478 2.785 . . . . 0.0 111.023 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.99 -29.95 15.29 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.657 1.599 . . . . 0.0 115.207 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.91 160.7 39.32 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.116 0.958 . . . . 0.0 112.596 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -155.64 146.81 22.54 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.872 1.269 . . . . 0.0 112.525 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.86 123.91 22.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.731 -1.231 . . . . 0.0 111.754 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -98.19 163.87 12.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.015 1.326 . . . . 0.0 113.197 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.24 -13.29 62.14 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -173.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.89 -17.1 64.74 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 112.549 167.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 18.13 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.32 1.438 . . . . 0.0 113.653 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.0 tpt -122.0 150.47 42.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.541 1.537 . . . . 0.0 111.056 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.69 110.0 3.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.607 -0.683 . . . . 0.0 110.3 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 148.05 26.92 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.713 1.149 . . . . 0.0 112.059 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.2 m -107.71 137.64 45.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 111.866 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.77 120.91 9.84 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.541 1.536 . . . . 0.0 112.141 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.75 156.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.391 1.876 . . . . 0.0 110.499 174.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.64 104.28 0.12 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.383 1.073 . . . . 0.0 112.195 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.3 48.84 0.03 OUTLIER Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.667 1.603 . . . . 0.0 110.338 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -157.72 149.28 21.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.62 2.368 . . . . 0.0 108.66 -162.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.49 143.51 90.39 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.385 1.074 . . . . 0.0 111.022 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.33 43.92 1.59 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.714 3.609 . . . . 0.0 112.509 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 37.36 59.84 4.09 Favored Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 128.502 2.721 . . . . 0.0 113.473 -172.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -83.98 59.82 6.22 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 123.351 2.701 . . . . 0.0 113.551 -164.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -164.47 -36.73 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.229 2.611 . . . . 0.0 111.299 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -67.38 134.48 51.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.041 2.136 . . . . 0.0 112.676 -174.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -137.42 134.76 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.924 1.689 . . . . 0.0 109.635 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -137.64 149.6 65.41 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 125.85 1.66 . . . . 0.0 111.034 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.17 154.2 66.32 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.186 2.59 . . . . 0.0 112.266 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.75 145.27 56.67 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.329 2.686 . . . . 0.0 112.088 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.266 1.826 . . . . 0.0 111.719 179.189 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.27 156.57 48.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.565 1.546 . . . . 0.0 111.476 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.43 152.89 41.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.991 0.916 . . . . 0.0 112.612 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -98.11 -24.58 15.25 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.523 1.529 . . . . 0.0 113.115 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -71.26 159.98 33.64 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.736 1.214 . . . . 0.0 113.432 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.19 19.86 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.217 1.407 . . . . 0.0 112.96 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.34 164.4 27.84 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.244 1.818 . . . . 0.0 111.851 -174.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -99.68 167.85 10.31 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.556 1.542 . . . . 0.0 112.502 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.36 7.2 76.7 Favored Glycine 0 CA--C 1.538 1.503 0 N-CA-C 117.222 1.649 . . . . 0.0 117.222 167.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -149.92 168.03 24.95 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.372 1.586 . . . . 0.0 112.481 173.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -99.58 -18.25 17.44 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -172.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.01 147.18 53.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.066 0.947 . . . . 0.0 112.29 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.29 17.11 73.9 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 114.981 0.752 . . . . 0.0 114.981 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 167.65 24.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.769 1.628 . . . . 0.0 111.913 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 m -133.77 148.87 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.78 1.632 . . . . 0.0 111.451 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -83.3 155.23 23.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.071 2.548 . . . . 0.0 112.749 -6.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -122.37 0.2 9.42 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.459 1.504 . . . . 0.0 113.858 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 55.0 20.87 3.41 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.395 2.278 . . . . 0.0 115.635 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m 52.54 28.15 5.75 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.62 1.568 . . . . 0.0 113.104 -171.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -77.41 134.2 38.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.28 . . . . 0.0 111.898 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -136.21 63.63 1.58 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.466 1.506 . . . . 0.0 111.579 -170.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -65.12 161.67 18.53 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.116 0.967 . . . . 0.0 112.446 173.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -85.52 145.3 27.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.076 0.95 . . . . 0.0 111.794 171.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -145.08 158.52 43.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.263 1.825 . . . . 0.0 111.177 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.8 155.34 50.79 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.94 1.696 . . . . 0.0 111.455 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.8 151.45 53.21 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.64 1.576 . . . . 0.0 111.144 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.52 69.84 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 123.561 2.84 . . . . 0.0 111.754 -176.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -141.06 167.08 23.05 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.722 1.609 . . . . 0.0 114.273 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.61 112.79 11.74 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 128.419 2.688 . . . . 0.0 108.832 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.93 110.04 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.1 161.16 13.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.822 0.849 . . . . 0.0 111.226 165.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -116.33 150.2 38.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.329 1.452 . . . . 0.0 110.727 170.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.01 142.77 36.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.302 1.041 . . . . 0.0 111.694 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -110.12 124.61 51.84 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.94 2.096 . . . . 0.0 110.932 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p -80.26 178.89 7.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.995 1.318 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.29 -16.63 61.37 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.2 1.94 54.95 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.155 0.889 . . . . 0.0 112.723 170.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.42 8.85 87.15 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.202 1.382 . . . . 0.0 114.791 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.71 119.93 18.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.636 1.218 . . . . 0.0 108.478 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.43 129.47 48.94 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.475 0.71 . . . . 0.0 111.731 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -125.0 162.53 24.33 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.572 1.549 . . . . 0.0 111.367 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.91 137.94 46.99 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.392 1.077 . . . . 0.0 110.839 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.5 110.03 26.01 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 124.808 1.243 . . . . 0.0 110.184 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -72.42 130.03 15.62 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.882 3.055 . . . . 0.0 111.24 168.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -114.14 143.94 43.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.22 1.808 . . . . 0.0 110.714 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.46 157.92 19.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.092 -1.005 . . . . 0.0 111.388 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.1 -19.97 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -80.58 -12.47 59.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.66 174.95 5.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.327 2.251 . . . . 0.0 112.318 175.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.17 163.71 31.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.853 1.661 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -83.68 110.12 22.89 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.645 2.378 . . . . 0.0 111.028 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.33 151.82 54.59 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.617 2.878 . . . . 0.0 110.964 166.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -30.01 14.97 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.555 1.55 . . . . 0.0 115.203 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -139.91 159.42 42.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.154 0.977 . . . . 0.0 112.777 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.67 148.12 20.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.372 . . . . 0.0 112.605 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 122.43 18.24 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.958 -1.089 . . . . 0.0 111.933 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.4 m -86.95 161.86 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.434 1.093 . . . . 0.0 112.08 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -17.23 63.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.797 0.839 . . . . 0.0 112.803 -173.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -65.64 -17.08 64.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.065 1.346 . . . . 0.0 113.208 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 12.52 59.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.327 1.441 . . . . 0.0 113.84 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -112.28 148.1 34.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.98 1.312 . . . . 0.0 111.329 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.11 110.07 3.28 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.712 0.805 . . . . 0.0 110.307 174.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.15 148.55 21.51 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.441 1.02 . . . . 0.0 112.766 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 m -105.86 140.04 39.49 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.866 -0.785 . . . . 0.0 111.609 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 tp -58.37 120.82 9.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.507 1.523 . . . . 0.0 113.467 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.4 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -134.12 155.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 126.2 1.8 . . . . 0.0 111.072 174.549 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -142.46 135.76 28.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.424 1.089 . . . . 0.0 110.798 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.3 5.05 0.04 OUTLIER Glycine 0 CA--C 1.539 1.542 0 N-CA-C 117.205 1.642 . . . . 0.0 117.205 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -150.8 142.91 24.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.439 1.619 . . . . 0.0 109.878 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.1 mp -41.63 107.5 0.51 Allowed Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 129.88 3.272 . . . . 0.0 114.204 -173.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -76.69 51.29 3.28 Favored 'Trans proline' 0 CA--C 1.547 1.174 0 C-N-CA 124.702 3.601 . . . . 0.0 112.505 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 49.88 68.73 3.18 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 127.042 2.137 . . . . 0.0 111.052 -154.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . 0.286 0.6 OUTLIER 38.23 165.41 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.744 1 C-N-CA 127.577 5.518 . . . . 0.0 119.186 -151.403 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.37 149.81 47.99 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.408 -0.808 . . . . 0.0 113.117 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -113.7 148.69 35.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.121 1.768 . . . . 0.0 108.841 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.48 161.94 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.272 1.029 . . . . 0.0 113.192 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt 50.02 79.46 0.34 Allowed Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 127.043 2.137 . . . . 0.0 114.897 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -72.83 142.84 75.82 Favored 'Cis proline' 0 CA--C 1.542 0.896 0 CA-C-N 119.637 0.906 . . . . 0.0 113.378 0.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -71.86 178.56 5.69 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.949 3.1 . . . . 0.0 112.167 173.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 124.83 1.252 . . . . 0.0 112.573 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.8 ttt 55.5 91.64 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.013 2.125 . . . . 0.0 113.699 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.65 -21.1 28.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.155 0.982 . . . . 0.0 113.063 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -82.1 50.96 1.67 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.206 2.202 . . . . 0.0 112.762 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -77.44 28.73 0.15 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.869 2.067 . . . . 0.0 114.354 -171.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.98 158.43 4.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 127.016 2.127 . . . . 0.0 112.041 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.83 149.33 36.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.389 1.476 . . . . 0.0 111.865 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -143.08 146.09 33.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.521 1.928 . . . . 0.0 110.722 -174.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.84 -49.37 2.09 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.64 1.591 . . . . 0.0 114.606 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.4 p -58.54 -29.56 66.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.788 1.635 . . . . 0.0 113.789 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.85 -12.0 61.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.677 1.991 . . . . 0.0 114.146 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.35 -37.44 83.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.378 1.071 . . . . 0.0 111.091 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.56 10.26 82.56 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 165.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 169.26 7.04 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 1.424 . . . . 0.0 113.618 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.86 149.24 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.0 1.72 . . . . 0.0 111.382 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -73.49 160.63 31.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.459 2.703 . . . . 0.0 113.294 -3.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.51 164.09 31.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.793 1.637 . . . . 0.0 111.301 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.49 50.95 1.26 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.527 1.531 . . . . 0.0 110.754 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p 60.82 4.0 0.72 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.353 2.261 . . . . 0.0 115.67 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.07 29.84 0.4 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.229 1.812 . . . . 0.0 114.815 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -98.8 -5.86 30.37 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.733 1.613 . . . . 0.0 113.73 168.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -135.36 139.23 44.08 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.144 1.778 . . . . 0.0 110.087 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -141.29 161.51 37.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.118 1.367 . . . . 0.0 112.654 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 60.65 170.39 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.078 2.151 . . . . 0.0 115.169 -172.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -129.39 154.09 47.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.183 1.793 . . . . 0.0 110.791 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 49.91 70.37 2.09 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 126.696 1.998 . . . . 0.0 114.618 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -64.3 172.49 6.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.835 3.023 . . . . 0.0 113.848 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -140.9 164.52 30.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.28 1.432 . . . . 0.0 114.2 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.86 110.52 9.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 128.386 2.674 . . . . 0.0 108.795 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.27 103.63 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.376 -0.828 . . . . 0.0 109.11 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 164.23 12.65 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.699 0.761 . . . . 0.0 110.0 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.01 147.96 51.82 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.744 1.218 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -138.51 138.17 37.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.755 0.822 . . . . 0.0 112.137 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -104.14 124.96 50.03 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.352 1.461 . . . . 0.0 111.669 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.3 177.47 8.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.936 1.294 . . . . 0.0 111.707 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.67 -15.79 61.7 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.59 2.03 56.21 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.292 0.951 . . . . 0.0 112.703 171.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.31 5.64 86.97 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 125.16 1.362 . . . . 0.0 114.984 -168.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.18 120.1 20.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.962 1.381 . . . . 0.0 109.381 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.56 130.6 49.46 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.778 0.831 . . . . 0.0 111.827 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -129.01 163.46 25.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.731 1.612 . . . . 0.0 111.973 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.97 138.97 45.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.118 1.367 . . . . 0.0 111.506 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.84 109.78 18.57 Favored Pre-proline 0 N--CA 1.473 0.723 0 C-N-CA 125.211 1.404 . . . . 0.0 110.459 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -70.32 130.02 17.96 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 124.18 3.253 . . . . 0.0 111.861 169.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.56 142.5 46.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.201 1.801 . . . . 0.0 111.26 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 159.34 20.95 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.316 -0.865 . . . . 0.0 111.244 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.61 -19.93 59.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.546 1.139 . . . . 0.0 113.62 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.95 -14.18 61.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.95 1.3 . . . . 0.0 113.358 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.52 162.9 16.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.659 1.984 . . . . 0.0 112.593 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.22 139.16 49.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.044 1.338 . . . . 0.0 111.175 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.63 110.26 2.77 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 128.073 2.549 . . . . 0.0 111.69 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -71.07 149.96 59.46 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.295 2.664 . . . . 0.0 110.8 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.03 -29.95 15.52 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.538 1.542 . . . . 0.0 115.06 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -140.08 160.33 40.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 112.695 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -156.33 148.05 22.83 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.131 1.372 . . . . 0.0 112.033 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 125.51 27.0 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.906 -1.122 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.7 m -92.74 163.78 13.62 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.693 1.197 . . . . 0.0 112.801 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -66.34 -14.77 62.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -67.53 -17.05 64.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.97 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 12.7 61.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.078 1.323 . . . . 0.0 113.572 -173.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.0 tpp -114.55 148.45 37.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.753 1.621 . . . . 0.0 111.544 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.18 110.04 3.31 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.946 0.898 . . . . 0.0 110.492 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.36 147.28 20.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.711 1.148 . . . . 0.0 112.619 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.6 m -108.82 137.65 46.41 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.819 0.848 . . . . 0.0 111.951 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.66 125.18 22.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.484 1.514 . . . . 0.0 113.187 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.62 148.22 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.517 1.527 . . . . 0.0 111.113 172.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.34 95.86 9.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.598 0.713 . . . . 0.0 111.038 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.29 69.29 2.27 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.098 1.332 . . . . 0.0 112.558 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 62.41 47.5 5.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.165 1.786 . . . . 0.0 113.252 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HA ' ' H ' ' A' ' 72' ' ' GLU . 3.8 mm? -110.24 159.25 32.72 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.08 1.752 . . . . 0.0 111.194 169.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -87.66 80.1 0.06 OUTLIER 'Cis proline' 0 CA--C 1.544 0.994 0 C-N-CA 130.236 1.349 . . . . 0.0 112.538 0.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' H ' ' HA ' ' A' ' 70' ' ' LEU . 47.7 mt-10 38.31 61.28 4.68 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.236 2.214 . . . . 0.0 114.131 -165.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.46 151.09 63.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.344 2.696 . . . . 0.0 114.098 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -141.18 143.42 34.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.488 1.515 . . . . 0.0 111.688 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.32 155.59 43.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.7 2.0 . . . . 0.0 110.562 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.26 158.24 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.492 1.517 . . . . 0.0 112.023 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.95 154.13 77.75 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 124.854 1.262 . . . . 0.0 112.012 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.66 152.94 98.86 Favored 'Cis proline' 0 CA--C 1.547 1.154 0 CA-C-N 119.431 0.833 . . . . 0.0 112.676 -4.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -76.31 -15.47 17.94 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.54 2.827 . . . . 0.0 114.106 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.048 1.739 . . . . 0.0 112.123 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.3 ttt -67.63 -17.98 64.8 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.67 -3.88 30.92 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.373 1.469 . . . . 0.0 114.387 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.53 -24.12 67.04 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.671 1.188 . . . . 0.0 113.781 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -137.75 164.31 29.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.857 1.263 . . . . 0.0 112.974 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t 54.28 29.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 126.405 1.882 . . . . 0.0 113.215 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp 51.74 26.78 3.67 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.256 1.822 . . . . 0.0 113.959 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -70.8 141.56 51.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.152 1.381 . . . . 0.0 112.245 -173.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.84 177.12 42.8 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.629 1.109 . . . . 0.0 113.505 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -85.16 154.85 21.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.403 1.081 . . . . 0.0 112.469 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -137.01 139.31 41.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.731 1.613 . . . . 0.0 110.945 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -93.16 -24.48 18.22 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.457 1.281 . . . . 0.0 114.457 -171.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.42 162.26 28.87 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 123.834 0.731 . . . . 0.0 114.285 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.13 157.44 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.325 2.25 . . . . 0.0 115.42 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.18 -14.55 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 125.381 1.472 . . . . 0.0 113.721 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -142.39 130.75 22.28 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.34 1.456 . . . . 0.0 110.305 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -160.9 -40.17 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.256 1.423 . . . . 0.0 112.949 -168.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -159.36 27.52 0.2 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.286 2.234 . . . . 0.0 110.962 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -86.93 -4.82 59.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.911 1.284 . . . . 0.0 113.361 -167.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -77.82 29.98 0.16 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 114.621 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -78.88 153.62 30.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.655 1.582 . . . . 0.0 111.894 174.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.39 28.94 6.44 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.326 1.45 . . . . 0.0 112.519 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -69.37 -33.69 73.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 112.341 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -105.13 169.99 8.13 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.945 1.698 . . . . 0.0 111.891 170.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.13 123.57 22.45 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.73 1.212 . . . . 0.0 109.775 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.07 66.65 16.67 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.725 1.21 . . . . 0.0 111.568 -174.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 115.3 3.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.181 3.254 . . . . 0.0 110.554 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -141.12 167.15 22.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.346 1.458 . . . . 0.0 114.819 -170.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.31 115.49 17.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 128.621 2.768 . . . . 0.0 108.813 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.94 107.44 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 124.317 1.047 . . . . 0.0 109.211 175.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.59 14.82 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.625 0.77 . . . . 0.0 110.516 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -116.84 149.14 40.52 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.899 1.28 . . . . 0.0 109.721 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -137.46 137.36 38.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.855 0.862 . . . . 0.0 111.927 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -104.04 123.46 47.25 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.371 1.468 . . . . 0.0 111.539 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -78.64 178.19 8.03 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.166 1.386 . . . . 0.0 111.765 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.16 -15.92 61.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.19 3.01 55.9 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.238 0.926 . . . . 0.0 112.668 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 5.77 88.27 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.2 1.381 . . . . 0.0 114.916 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.37 120.04 20.28 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.806 1.303 . . . . 0.0 109.229 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.45 129.59 49.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.796 0.838 . . . . 0.0 111.941 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 95.8 m-85 -127.47 163.04 24.97 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.555 1.542 . . . . 0.0 111.651 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.95 138.41 46.36 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.433 1.093 . . . . 0.0 110.33 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.13 110.02 31.25 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.621 1.169 . . . . 0.0 109.45 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.82 128.34 11.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.353 2.702 . . . . 0.0 110.803 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.41 140.66 48.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.429 1.492 . . . . 0.0 110.955 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.91 159.82 22.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.191 -0.943 . . . . 0.0 111.531 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.42 -19.88 57.74 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 113.68 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.83 -12.44 60.68 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.984 1.314 . . . . 0.0 113.48 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.5 174.37 6.59 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.144 2.178 . . . . 0.0 112.736 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.59 164.19 28.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.052 1.741 . . . . 0.0 111.696 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.35 110.05 28.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 127.651 2.38 . . . . 0.0 111.066 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.48 151.64 53.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.703 2.935 . . . . 0.0 111.093 166.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.91 15.79 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.755 1.645 . . . . 0.0 115.323 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.94 41.04 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 112.724 171.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -157.13 147.98 21.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.316 1.446 . . . . 0.0 111.839 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 125.93 28.18 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.858 -1.151 . . . . 0.0 111.632 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.02 161.04 16.8 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.44 1.096 . . . . 0.0 112.187 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -64.09 -16.79 62.53 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.1 -17.12 64.2 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.979 1.312 . . . . 0.0 113.099 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.06 62.59 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.195 1.378 . . . . 0.0 113.484 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.6 tpp -114.87 147.02 40.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 111.555 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.58 110.13 3.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.008 0.923 . . . . 0.0 110.549 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.5 148.65 20.68 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.779 1.18 . . . . 0.0 112.971 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.5 m -109.55 138.18 46.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 112.037 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.04 124.52 18.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.647 1.579 . . . . 0.0 114.75 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 156.14 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 127.763 2.425 . . . . 0.0 109.258 166.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.42 110.98 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.815 -1.178 . . . . 0.0 113.295 -170.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.85 -7.25 62.95 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.376 1.465 . . . . 0.0 114.753 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.65 20.0 3.67 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.596 1.558 . . . . 0.0 113.734 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.46 158.29 88.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.813 1.645 . . . . 0.0 112.581 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -76.47 -14.46 26.42 Favored 'Cis proline' 0 C--N 1.356 0.969 0 N-CA-C 116.557 1.714 . . . . 0.0 116.557 7.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -125.68 66.31 55.77 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.575 1.55 . . . . 0.0 112.427 -170.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -65.67 141.74 67.56 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.361 2.708 . . . . 0.0 113.615 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -77.18 143.08 39.31 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.732 1.213 . . . . 0.0 111.717 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -85.45 64.15 8.48 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.185 0.994 . . . . 0.0 112.449 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.88 29.9 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.079 1.352 . . . . 0.0 112.392 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -136.04 133.71 19.89 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 126.788 2.035 . . . . 0.0 109.955 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.2 154.32 63.81 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 122.952 2.435 . . . . 0.0 114.422 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -71.47 138.36 52.71 Favored 'Cis proline' 0 CA--C 1.54 0.801 0 CA-C-N 119.106 0.717 . . . . 0.0 112.767 -4.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.543 -1.218 . . . . 0.0 112.079 -176.586 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.336 0.113 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.3 ttt -121.42 11.33 10.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.906 1.683 . . . . 0.0 112.96 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.32 65.02 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -170.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -88.08 -11.94 45.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -143.12 167.13 22.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -166.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 7' ' ' LEU 0.32 0.3 OUTLIER 59.43 170.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 128.383 2.673 . . . . 0.0 114.398 -171.782 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' HG22 ' A' ' 6' ' ' VAL . 90.1 mt -66.54 166.49 12.57 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.851 1.661 . . . . 0.0 113.841 -175.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mmt-85 -133.11 157.02 46.34 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.516 1.926 . . . . 0.0 111.282 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.93 173.08 45.56 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.294 0.949 . . . . 0.0 113.75 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -63.51 -16.86 61.91 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -85.12 20.78 1.82 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.903 1.681 . . . . 0.0 113.94 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.2 -6.52 18.4 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 -177.91 53.11 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.054 1.312 . . . . 0.0 115.594 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.1 157.53 27.95 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.88 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.3 138.54 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.207 1.003 . . . . 0.0 111.277 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -123.89 149.41 45.87 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.701 1.6 . . . . 0.0 111.487 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 m-85 -123.42 -12.1 7.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 119.593 3.182 . . . . 0.0 119.593 -165.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 17' ' ' TYR . 45.9 mt-10 -54.01 -45.16 71.43 Favored 'General case' 0 N--CA 1.477 0.887 1 C-N-CA 132.683 4.393 . . . . 0.0 112.537 -12.391 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 p -143.3 154.87 44.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.378 2.271 . . . . 0.0 111.253 165.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -147.75 164.85 32.31 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.336 1.454 . . . . 0.0 111.421 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -61.51 146.15 49.58 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.211 1.004 . . . . 0.0 112.586 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -146.19 -68.84 0.27 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.816 1.646 . . . . 0.0 110.094 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -78.31 163.23 25.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.182 0.993 . . . . 0.0 108.945 144.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.75 -178.8 6.96 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.605 1.162 . . . . 0.0 113.549 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.27 70.02 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.624 1.569 . . . . 0.0 109.747 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.93 160.92 32.74 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 128.45 2.7 . . . . 0.0 110.273 -167.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.34 133.24 56.97 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.9 3.066 . . . . 0.0 113.17 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -141.14 169.52 17.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.471 1.909 . . . . 0.0 114.412 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.58 103.66 6.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.944 2.498 . . . . 0.0 109.289 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.06 110.01 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 160.04 14.58 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.983 0.913 . . . . 0.0 110.122 163.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -113.8 155.58 25.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.375 1.07 . . . . 0.0 110.268 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -142.79 141.43 31.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.82 0.848 . . . . 0.0 111.537 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -106.93 123.67 48.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.185 1.794 . . . . 0.0 111.414 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -77.58 178.21 7.45 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.298 1.439 . . . . 0.0 111.653 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.16 -15.96 61.97 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -91.34 3.53 54.68 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.233 0.924 . . . . 0.0 112.889 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 5.35 89.49 Favored Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.153 1.359 . . . . 0.0 114.62 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.83 120.14 19.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.486 1.143 . . . . 0.0 108.766 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.43 132.74 48.26 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.578 0.704 . . . . 0.0 111.94 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -126.85 163.17 24.21 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.985 1.714 . . . . 0.0 111.426 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.94 134.26 52.29 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.071 1.348 . . . . 0.0 110.158 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.27 110.03 34.63 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 124.554 1.142 . . . . 0.0 109.65 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.5 119.94 4.27 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.318 2.679 . . . . 0.0 111.293 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.75 142.76 33.35 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.931 1.692 . . . . 0.0 111.367 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.2 26.6 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.272 -0.893 . . . . 0.0 111.46 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.69 -19.99 53.35 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.83 -12.03 60.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.037 1.335 . . . . 0.0 113.474 172.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.95 173.51 7.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.991 2.117 . . . . 0.0 112.92 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.03 166.15 23.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.11 1.764 . . . . 0.0 111.602 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -89.04 110.03 35.09 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.221 2.209 . . . . 0.0 110.115 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.22 151.46 54.81 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.683 2.922 . . . . 0.0 110.816 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.89 15.58 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.634 1.587 . . . . 0.0 115.184 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.94 159.56 41.9 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.203 1.001 . . . . 0.0 112.494 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.9 148.01 21.98 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.362 1.465 . . . . 0.0 111.92 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 125.41 26.69 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.891 -1.13 . . . . 0.0 111.487 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.66 163.12 14.22 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.52 1.128 . . . . 0.0 112.5 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -68.38 -11.7 60.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.65 -17.14 64.04 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.626 1.17 . . . . 0.0 112.846 168.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 12.85 61.51 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.264 1.411 . . . . 0.0 113.582 -173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.1 tpp -114.22 147.18 39.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.46 1.504 . . . . 0.0 111.546 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.34 110.06 3.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 110.45 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.01 148.87 21.13 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.407 1.003 . . . . 0.0 112.851 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 m -108.41 138.01 45.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.984 0.914 . . . . 0.0 111.888 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.06 122.33 14.11 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.997 1.719 . . . . 0.0 111.682 -171.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.472 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -128.67 156.01 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.7 1.6 . . . . 0.0 111.607 171.35 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -76.53 141.38 41.22 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.453 0.701 . . . . 0.0 111.618 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.52 -20.1 76.83 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t0 65.7 154.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.034 2.534 . . . . 0.0 116.21 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.72 161.32 67.32 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.259 2.223 . . . . 0.0 111.884 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.43 -22.17 16.29 Favored 'Cis proline' 0 C--N 1.353 0.806 0 N-CA-C 116.464 1.678 . . . . 0.0 116.464 12.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -127.4 69.56 74.98 Favored Pre-proline 0 N--CA 1.477 0.922 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -167.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -69.38 148.44 67.52 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.503 2.135 . . . . 0.0 110.917 163.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -144.29 135.75 25.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.797 1.239 . . . . 0.0 112.225 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt 40.22 39.86 0.72 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.557 2.343 . . . . 0.0 114.998 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.8 165.4 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.794 1.238 . . . . 0.0 113.024 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -58.93 158.55 16.32 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.57 1.148 . . . . 0.0 112.004 167.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.26 163.21 15.15 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.404 2.736 . . . . 0.0 112.941 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -67.57 158.11 84.14 Favored 'Cis proline' 0 CA--C 1.539 0.77 0 CA-C-N 119.744 0.944 . . . . 0.0 114.104 -3.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.408 1.483 . . . . 0.0 113.076 177.338 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 111.283 0.105 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.3 ttt -71.38 -32.86 68.95 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.994 2.517 . . . . 0.0 112.781 -0.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.49 159.32 19.34 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.84 1.256 . . . . 0.0 111.534 167.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.5 155.88 21.03 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 128.77 2.828 . . . . 0.0 113.615 -5.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -71.42 167.76 18.91 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 130.031 3.332 . . . . 0.0 113.561 -7.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -82.78 165.69 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.866 1.266 . . . . 0.0 111.644 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt 54.07 46.44 25.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.418 1.887 . . . . 0.0 113.808 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -79.91 53.58 1.7 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.91 1.684 . . . . 0.0 111.213 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.45 -19.89 5.49 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.171 1.367 . . . . 0.0 113.564 -161.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -60.23 130.72 48.06 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.546 1.173 . . . . 0.0 111.116 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 51.83 22.81 1.83 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.949 1.7 . . . . 0.0 114.901 -174.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -138.88 -36.08 0.56 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.043 1.337 . . . . 0.0 113.465 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.35 -171.06 47.07 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.214 0.911 . . . . 0.0 113.128 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 132.86 42.47 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.937 -0.743 . . . . 0.0 111.34 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.1 m -136.44 148.9 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.765 1.626 . . . . 0.0 111.83 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -143.13 141.64 31.26 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.34 1.456 . . . . 0.0 111.546 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -153.51 149.07 27.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.38 1.472 . . . . 0.0 111.438 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.42 57.05 4.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.726 1.21 . . . . 0.0 111.491 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m 54.23 34.86 21.27 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.749 1.619 . . . . 0.0 112.996 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.71 133.79 46.92 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.975 1.31 . . . . 0.0 112.203 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -18.04 39.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.586 1.554 . . . . 0.0 113.325 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.65 147.75 52.84 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.817 0.847 . . . . 0.0 112.412 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -139.58 161.92 36.34 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.421 1.488 . . . . 0.0 111.963 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -67.53 156.58 36.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.655 1.182 . . . . 0.0 113.464 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.07 153.43 47.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.195 1.798 . . . . 0.0 110.559 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.77 154.06 74.4 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.157 1.383 . . . . 0.0 112.03 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -78.27 69.98 7.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.372 3.382 . . . . 0.0 112.069 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -141.03 164.54 30.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.598 1.559 . . . . 0.0 114.6 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.4 102.02 5.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.194 2.597 . . . . 0.0 109.596 -173.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.02 108.2 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 121.243 -0.911 . . . . 0.0 108.554 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.88 165.14 12.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.765 1.226 . . . . 0.0 111.321 168.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -114.95 149.35 37.44 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.228 1.411 . . . . 0.0 111.001 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.12 142.98 38.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.033 0.933 . . . . 0.0 111.341 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -109.22 125.03 51.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.487 1.915 . . . . 0.0 111.009 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.9 p -77.24 176.27 8.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.789 1.235 . . . . 0.0 111.277 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.3 -11.74 59.94 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.353 -0.842 . . . . 0.0 112.488 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.86 11.4 33.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.052 1.741 . . . . 0.0 111.61 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.61 -0.24 89.46 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 126.441 1.972 . . . . 0.0 114.945 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.39 120.12 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.457 0.703 . . . . 0.0 109.912 -167.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -102.43 130.84 49.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.521 0.677 . . . . 0.0 111.571 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -126.94 162.51 25.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.855 1.662 . . . . 0.0 111.401 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.0 136.39 49.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 111.283 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.0 110.05 24.61 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.01 1.324 . . . . 0.0 111.087 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.45 125.45 10.16 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.066 3.178 . . . . 0.0 112.056 168.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -108.42 141.84 39.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.532 1.933 . . . . 0.0 111.263 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.9 23.74 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.349 -0.845 . . . . 0.0 110.92 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.16 -19.99 56.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.434 1.094 . . . . 0.0 113.627 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.96 -13.35 61.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.933 1.293 . . . . 0.0 113.23 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.19 20.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.984 2.114 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 139.96 50.11 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.942 1.297 . . . . 0.0 111.06 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -55.68 110.15 2.08 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 127.737 2.415 . . . . 0.0 111.752 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.08 150.26 53.84 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.27 2.646 . . . . 0.0 110.786 168.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.13 -29.84 15.92 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.622 1.582 . . . . 0.0 115.096 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -139.99 159.98 40.95 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.066 0.933 . . . . 0.0 112.841 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -156.88 148.02 22.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.183 1.393 . . . . 0.0 112.402 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.94 125.8 27.83 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.763 -1.211 . . . . 0.0 111.791 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.6 m -95.07 164.02 13.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.699 1.199 . . . . 0.0 113.081 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -68.89 -13.88 62.69 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.87 -17.22 63.95 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 118.812 0.733 . . . . 0.0 112.511 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.92 14.66 54.58 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.544 1.545 . . . . 0.0 113.901 -177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.8 tpt -113.98 145.53 41.41 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.736 1.614 . . . . 0.0 111.262 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.57 110.03 1.03 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.163 0.985 . . . . 0.0 110.315 169.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.68 147.73 21.41 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.425 1.012 . . . . 0.0 112.135 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.9 m -105.24 140.4 38.45 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.834 -0.804 . . . . 0.0 111.304 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.65 122.67 14.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.032 1.333 . . . . 0.0 112.313 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -128.6 155.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.38 1.472 . . . . 0.0 112.51 178.022 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.01 144.59 34.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.761 0.824 . . . . 0.0 111.382 169.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.17 -37.7 0.2 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 113.079 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -147.66 125.24 11.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.454 1.502 . . . . 0.0 109.386 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 mp -118.67 152.29 51.11 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.712 1.605 . . . . 0.0 111.164 -172.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -80.56 38.28 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.595 3.53 . . . . 0.0 112.667 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 37.45 59.89 4.17 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 127.942 2.497 . . . . 0.0 114.309 -170.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -63.61 138.23 63.5 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.06 2.507 . . . . 0.0 110.507 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 44.8 27.62 0.28 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.661 1.985 . . . . 0.0 115.334 -168.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? 49.21 39.8 16.43 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.546 1.938 . . . . 0.0 112.631 -168.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t 52.1 29.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 128.055 2.542 . . . . 0.0 114.108 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -67.08 158.96 79.43 Favored Pre-proline 0 N--CA 1.479 1.003 0 O-C-N 120.903 -1.123 . . . . 0.0 112.577 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -64.07 162.27 60.22 Favored 'Cis proline' 0 CA--C 1.544 1.004 0 CA-C-N 120.392 1.176 . . . . 0.0 115.131 1.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.01 151.03 44.07 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 124.121 3.214 . . . . 0.0 114.446 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.563 1.545 . . . . 0.0 112.474 -166.83 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 148.4 50.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.005 0.922 . . . . 0.0 113.012 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.17 22.89 3.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.227 1.811 . . . . 0.0 115.77 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -74.45 92.66 2.36 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.832 1.253 . . . . 0.0 111.45 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -138.92 159.68 41.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.361 1.864 . . . . 0.0 111.448 -172.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t -83.38 59.92 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.809 1.244 . . . . 0.0 110.795 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.9 mt 57.24 9.58 0.73 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.733 2.413 . . . . 0.0 116.315 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -151.56 145.17 24.95 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.198 1.799 . . . . 0.0 110.973 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.88 32.23 0.07 OUTLIER Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.414 0.925 . . . . 0.0 115.414 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 t -61.48 -27.92 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.7 mtm-85 -75.79 -10.64 59.6 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.902 1.281 . . . . 0.0 114.416 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt 62.73 127.9 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.537 2.735 . . . . 0.0 114.123 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.9 144.47 21.1 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.49 1.043 . . . . 0.0 113.732 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.04 -171.79 0.07 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.311 1.845 . . . . 0.0 114.797 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.6 155.98 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.357 1.863 . . . . 0.0 111.81 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -117.39 15.23 14.77 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.443 1.497 . . . . 0.0 112.837 -177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -155.94 159.28 39.11 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.57 1.948 . . . . 0.0 111.427 -166.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.64 109.78 0.99 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.7 1.2 . . . . 0.0 112.07 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 119.65 22.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.123 1.369 . . . . 0.0 110.712 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.74 143.26 57.98 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -91.59 6.46 45.62 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.715 3.606 . . . . 0.0 114.097 4.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -75.16 172.95 11.48 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.93 1.292 . . . . 0.0 111.622 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.0 m80 60.74 -177.53 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.18 2.192 . . . . 0.0 114.243 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.96 146.26 44.04 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.234 -0.917 . . . . 0.0 110.752 164.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -138.43 138.34 38.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.185 1.394 . . . . 0.0 110.949 -174.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.6 162.83 30.41 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.368 1.467 . . . . 0.0 112.055 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.91 146.84 88.73 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.522 2.814 . . . . 0.0 110.648 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -141.09 166.9 23.51 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -169.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.05 116.61 14.81 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.523 2.729 . . . . 0.0 108.71 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.04 110.0 21.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.18 -0.95 . . . . 0.0 108.523 177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.85 161.57 13.8 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.52 0.728 . . . . 0.0 110.093 165.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -123.46 151.69 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.661 1.184 . . . . 0.0 110.125 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -138.7 137.76 37.11 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.615 0.766 . . . . 0.0 112.273 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -104.13 123.12 46.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.692 1.597 . . . . 0.0 111.395 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -77.5 178.38 7.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.38 1.472 . . . . 0.0 111.898 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.77 -16.21 61.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -91.17 3.11 55.64 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.146 0.884 . . . . 0.0 112.815 171.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.93 88.61 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.074 1.321 . . . . 0.0 114.778 -169.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.79 120.01 19.76 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.58 1.19 . . . . 0.0 108.643 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -102.44 131.72 48.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.71 -0.619 . . . . 0.0 112.132 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -127.93 162.46 26.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.88 1.672 . . . . 0.0 111.471 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -109.89 137.94 46.97 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.367 1.467 . . . . 0.0 110.904 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.98 109.03 18.25 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.817 1.247 . . . . 0.0 110.141 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -71.08 130.0 17.06 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.081 3.188 . . . . 0.0 111.38 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -114.5 145.23 42.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.456 1.902 . . . . 0.0 110.969 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 155.58 20.52 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 111.28 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -19.87 58.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.424 1.09 . . . . 0.0 113.771 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -10.64 59.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.28 174.99 5.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.838 2.055 . . . . 0.0 112.179 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.21 160.08 38.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.355 1.462 . . . . 0.0 110.704 170.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.69 110.06 24.73 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 127.643 2.377 . . . . 0.0 110.269 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.31 151.77 60.49 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.367 2.711 . . . . 0.0 110.778 167.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.88 14.95 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.509 1.528 . . . . 0.0 115.071 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.2 p -139.97 158.71 43.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.029 0.915 . . . . 0.0 112.926 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -156.61 148.15 22.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.472 1.509 . . . . 0.0 111.866 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 126.94 31.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 111.511 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.53 165.4 13.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.552 1.141 . . . . 0.0 112.777 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -68.78 -13.61 62.51 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -69.7 -17.15 63.45 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 113.157 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.09 61.16 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.895 1.236 . . . . 0.0 113.657 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -112.69 147.74 36.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.372 1.469 . . . . 0.0 111.501 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.54 110.04 2.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.255 1.022 . . . . 0.0 110.353 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.1 148.85 19.98 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.582 1.087 . . . . 0.0 113.206 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 m -109.57 137.71 47.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.898 0.879 . . . . 0.0 112.04 175.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.72 124.22 17.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.843 1.657 . . . . 0.0 115.358 -172.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.51 156.1 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 109.785 165.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.05 112.59 1.74 Allowed 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.829 -1.169 . . . . 0.0 112.716 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.8 -70.13 1.23 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.484 1.04 . . . . 0.0 111.699 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -140.05 19.94 2.45 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.301 1.441 . . . . 0.0 112.294 175.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.21 103.98 18.15 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.013 1.725 . . . . 0.0 110.148 -172.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -86.92 -40.66 0.06 OUTLIER 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.936 2.424 . . . . 0.0 112.582 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.81 60.79 11.79 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.408 1.483 . . . . 0.0 114.043 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -56.88 129.42 34.48 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.183 1.922 . . . . 0.0 111.445 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -151.61 11.76 0.6 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.83 148.61 38.72 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -68.45 156.48 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.445 1.098 . . . . 0.0 112.039 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.78 131.84 95.27 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.07 0.948 . . . . 0.0 111.266 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -71.85 159.25 51.06 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.211 2.607 . . . . 0.0 112.605 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.82 -7.56 15.55 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 123.845 3.03 . . . . 0.0 114.679 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.876 1.671 . . . . 0.0 114.189 -177.648 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.4 mtt -133.76 149.69 51.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.586 1.554 . . . . 0.0 111.306 173.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.92 -41.7 35.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.789 2.036 . . . . 0.0 112.743 -3.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 49.06 27.6 1.77 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.785 1.634 . . . . 0.0 115.043 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 58.4 20.36 7.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.944 2.098 . . . . 0.0 115.335 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 m -129.98 164.56 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.552 1.941 . . . . 0.0 112.694 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.1 mt 60.79 176.68 0.1 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.863 2.065 . . . . 0.0 114.556 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 51.27 42.48 29.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.304 1.842 . . . . 0.0 114.122 174.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.38 170.95 37.64 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.758 1.171 . . . . 0.0 114.287 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -78.04 49.13 0.77 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.91 1.684 . . . . 0.0 114.115 -172.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -65.89 -27.93 68.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.572 1.549 . . . . 0.0 113.092 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 tp -138.44 141.62 39.52 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.357 1.863 . . . . 0.0 110.153 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.58 149.62 45.39 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 123.933 0.778 . . . . 0.0 113.994 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.13 41.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.379 1.472 . . . . 0.0 111.461 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 t -83.57 59.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.912 1.285 . . . . 0.0 110.57 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 t -90.44 -44.59 9.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.841 1.256 . . . . 0.0 112.647 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.256 39.9 p90 50.08 174.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.364 3.065 . . . . 0.0 116.884 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.8 104.51 14.82 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.751 -1.218 . . . . 0.0 110.738 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -66.55 128.47 36.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.812 0.845 . . . . 0.0 110.036 170.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -74.38 112.38 10.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.201 0.6 . . . . 0.0 111.252 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -76.48 -6.49 52.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.037 1.335 . . . . 0.0 114.384 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.68 29.16 6.03 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.877 2.071 . . . . 0.0 111.733 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -72.8 -43.84 62.25 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.39 162.38 27.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.039 1.335 . . . . 0.0 113.163 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.3 mt -81.45 69.87 8.19 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.618 1.199 . . . . 0.0 112.315 -174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.73 77.85 9.28 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.299 2.239 . . . . 0.0 108.716 166.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.98 120.99 9.24 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.636 3.557 . . . . 0.0 113.432 -168.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 ptt-85 -141.11 168.52 19.59 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.78 110.46 11.76 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 129.16 2.984 . . . . 0.0 108.144 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.12 106.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 160.97 14.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.073 0.949 . . . . 0.0 111.139 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -115.43 150.34 36.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.333 1.453 . . . . 0.0 111.016 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -141.86 143.72 33.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.433 1.093 . . . . 0.0 111.678 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -110.07 124.98 52.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.54 1.936 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -79.63 178.4 8.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.197 1.399 . . . . 0.0 111.826 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.3 -16.1 61.9 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.28 2.54 56.3 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.146 0.885 . . . . 0.0 112.769 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.64 9.99 85.74 Favored Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.961 1.267 . . . . 0.0 114.59 -168.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.72 119.99 20.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.178 1.489 . . . . 0.0 108.752 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -102.48 130.27 49.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.773 0.829 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.99 164.1 23.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.564 1.546 . . . . 0.0 112.254 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.99 138.79 45.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.224 1.009 . . . . 0.0 111.786 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.01 110.0 24.59 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.794 1.637 . . . . 0.0 110.425 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -69.09 130.02 19.4 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.346 3.364 . . . . 0.0 112.233 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.62 142.2 47.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.321 1.848 . . . . 0.0 111.353 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.96 21.94 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.104 -0.998 . . . . 0.0 111.403 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.72 -19.98 60.12 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.209 1.004 . . . . 0.0 113.573 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.74 -12.68 60.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.003 1.321 . . . . 0.0 113.397 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.05 174.36 6.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.263 2.225 . . . . 0.0 112.735 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.49 165.14 25.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.202 1.801 . . . . 0.0 111.22 171.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.2 109.96 29.58 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 126.968 2.107 . . . . 0.0 109.732 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.03 153.97 71.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.618 2.878 . . . . 0.0 110.881 168.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.9 15.81 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.619 1.104 . . . . 0.0 115.02 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -142.47 159.89 41.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.207 1.004 . . . . 0.0 112.78 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -156.97 148.06 21.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.203 1.401 . . . . 0.0 112.262 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.15 123.99 22.59 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.952 -1.093 . . . . 0.0 111.538 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.9 m -92.26 166.46 12.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.669 1.188 . . . . 0.0 112.838 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -67.3 -15.67 63.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.067 . . . . 0.0 113.818 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.17 -17.12 63.77 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.076 1.35 . . . . 0.0 113.336 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 12.97 61.25 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.783 1.183 . . . . 0.0 113.617 -173.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -114.66 148.41 38.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.779 1.632 . . . . 0.0 111.24 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.25 109.96 3.31 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.894 0.878 . . . . 0.0 110.465 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.74 147.87 21.45 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.327 0.965 . . . . 0.0 112.605 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -106.71 137.82 44.04 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.985 0.914 . . . . 0.0 111.574 173.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.11 122.72 15.1 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.414 1.486 . . . . 0.0 110.791 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.513 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -124.41 151.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 176.017 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -87.92 128.5 35.37 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.11 0.964 . . . . 0.0 111.858 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.51 62.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.616 0 C-N-CA 125.292 1.425 . . . . 0.0 110.095 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -138.18 151.31 47.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.852 2.061 . . . . 0.0 109.027 -162.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.01 133.85 39.5 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 125.988 1.715 . . . . 0.0 111.172 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -81.4 8.28 38.16 Favored 'Cis proline' 0 CA--C 1.547 1.17 0 N-CA-C 117.135 1.936 . . . . 0.0 117.135 9.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.44 60.68 54.21 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -81.27 59.83 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 123.539 2.826 . . . . 0.0 111.227 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -139.78 4.89 2.14 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.849 1.66 . . . . 0.0 115.21 -166.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -84.56 39.92 0.76 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.367 1.467 . . . . 0.0 114.038 -161.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -143.28 120.76 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.128 2.171 . . . . 0.0 108.327 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -138.78 87.83 14.36 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 125.348 1.459 . . . . 0.0 110.143 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -51.66 136.35 49.77 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.768 2.979 . . . . 0.0 113.59 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -76.09 1.43 19.81 Favored 'Cis proline' 0 CA--C 1.545 1.036 0 N-CA-C 117.435 2.052 . . . . 0.0 117.435 9.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.677 1.591 . . . . 0.0 111.055 171.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 p . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -72.65 151.62 42.17 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.332 1.053 . . . . 0.0 112.261 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.2 152.62 44.04 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.846 0.858 . . . . 0.0 112.532 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -75.64 93.01 3.0 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.571 1.148 . . . . 0.0 111.556 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -141.09 166.29 25.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.317 1.847 . . . . 0.0 112.012 -173.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.99 142.61 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.212 1.405 . . . . 0.0 110.536 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -90.2 -15.2 31.91 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -170.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.74 154.92 38.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.937 1.695 . . . . 0.0 111.075 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.83 -154.7 50.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 123.663 0.649 . . . . 0.0 112.362 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.2 t -146.78 144.23 29.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.131 0.972 . . . . 0.0 111.697 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -73.7 -15.77 61.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.427 1.091 . . . . 0.0 113.885 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -87.41 5.79 37.0 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.758 1.223 . . . . 0.0 113.62 166.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.27 136.85 9.21 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 126.357 1.932 . . . . 0.0 113.62 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.23 150.58 32.83 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.928 1.691 . . . . 0.0 110.283 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.43 134.15 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.494 1.118 . . . . 0.0 112.095 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -66.38 171.24 5.06 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.104 2.562 . . . . 0.0 112.693 -10.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.76 132.58 54.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -152.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -131.7 1.52 4.03 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.415 1.886 . . . . 0.0 112.523 169.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -125.58 21.12 7.82 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.24 2.216 . . . . 0.0 113.469 -171.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.06 151.98 43.98 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.254 1.022 . . . . 0.0 112.65 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 143.12 53.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.032 1.333 . . . . 0.0 112.21 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -66.48 -41.85 88.36 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -170.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -147.77 145.29 28.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.579 1.551 . . . . 0.0 110.796 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.57 156.54 29.12 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -139.62 134.28 31.86 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.287 1.835 . . . . 0.0 109.132 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.85 73.94 0.88 Allowed Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 125.893 1.677 . . . . 0.0 113.689 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.54 172.45 6.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.996 3.131 . . . . 0.0 114.174 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.92 166.65 24.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 0.0 114.558 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.44 117.07 16.77 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 128.531 2.732 . . . . 0.0 109.026 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.9 mm -92.72 106.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 124.514 1.126 . . . . 0.0 109.062 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 160.16 14.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.804 0.841 . . . . 0.0 110.97 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -112.08 151.91 28.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.682 1.193 . . . . 0.0 110.614 169.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -140.88 141.75 34.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.255 1.022 . . . . 0.0 111.332 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -108.56 124.67 50.82 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.637 1.975 . . . . 0.0 111.019 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 p -79.65 178.39 8.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.989 1.316 . . . . 0.0 111.41 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.66 -16.37 61.7 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -89.36 1.85 55.22 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.157 0.89 . . . . 0.0 112.669 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.18 7.79 88.04 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 125.14 1.352 . . . . 0.0 114.779 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.61 120.03 18.65 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.668 1.234 . . . . 0.0 108.536 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.5 132.5 48.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.533 0.682 . . . . 0.0 112.05 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.85 163.36 23.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.712 1.605 . . . . 0.0 111.464 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 133.9 52.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.843 1.257 . . . . 0.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.07 110.09 38.44 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 124.756 1.222 . . . . 0.0 109.955 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.19 129.95 14.68 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.358 2.705 . . . . 0.0 111.278 171.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -119.56 140.81 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.771 1.628 . . . . 0.0 111.402 174.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.54 159.41 24.13 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.316 -0.865 . . . . 0.0 111.376 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.89 -19.95 54.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.925 1.29 . . . . 0.0 113.67 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.98 -13.48 61.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.918 1.287 . . . . 0.0 113.478 171.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.71 160.91 22.35 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.675 1.99 . . . . 0.0 112.557 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -131.5 141.69 49.8 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.044 1.338 . . . . 0.0 111.116 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.8 110.14 2.3 Favored Pre-proline 0 N--CA 1.472 0.625 0 C-N-CA 127.934 2.494 . . . . 0.0 111.407 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.86 149.9 54.57 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.288 2.659 . . . . 0.0 110.605 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.31 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.515 1.531 . . . . 0.0 115.307 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.07 159.72 41.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.159 0.979 . . . . 0.0 112.413 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -157.93 148.13 20.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.52 1.528 . . . . 0.0 111.872 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 125.94 28.22 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.969 -1.082 . . . . 0.0 111.951 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.0 m -92.02 162.97 14.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.66 1.184 . . . . 0.0 112.687 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.43 -14.58 63.06 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.41 -17.1 64.58 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.106 0.962 . . . . 0.0 112.83 169.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 12.89 60.23 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.304 1.43 . . . . 0.0 113.689 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -113.73 147.99 37.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.977 1.311 . . . . 0.0 111.321 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.04 109.96 2.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.313 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.65 149.14 23.22 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.47 1.033 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.1 m -107.05 138.62 42.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.961 0.904 . . . . 0.0 111.318 173.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.07 121.73 12.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.585 1.554 . . . . 0.0 110.669 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.503 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.06 154.24 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.472 1.509 . . . . 0.0 112.225 176.666 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.25 148.2 45.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.121 0.568 . . . . 0.0 110.853 166.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.49 -13.93 63.79 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.0 t70 63.44 133.17 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.64 2.776 . . . . 0.0 116.271 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -130.03 148.59 70.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.983 1.713 . . . . 0.0 110.83 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -79.89 40.61 0.98 Allowed 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 124.609 3.539 . . . . 0.0 112.616 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 37.48 59.92 4.2 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.785 2.434 . . . . 0.0 112.788 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -34.37 104.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.558 4.172 . . . . 0.0 117.082 -152.554 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -153.0 173.58 15.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.732 2.813 . . . . 0.0 111.045 -168.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -60.18 132.97 55.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.726 0.811 . . . . 0.0 110.329 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.58 129.09 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.723 0.809 . . . . 0.0 112.005 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -143.75 100.87 5.04 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 126.204 1.802 . . . . 0.0 108.938 171.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -64.37 153.09 78.74 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 123.014 2.476 . . . . 0.0 114.021 -174.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.25 158.19 98.92 Favored 'Cis proline' 0 CA--C 1.543 0.968 0 CA-C-N 119.119 0.721 . . . . 0.0 112.862 -5.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 124.567 1.147 . . . . 0.0 113.586 179.789 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -139.56 24.39 2.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.757 1.223 . . . . 0.0 113.976 -178.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.93 20.49 0.25 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.974 1.309 . . . . 0.0 114.385 -176.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.33 150.69 25.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.841 1.657 . . . . 0.0 112.856 -177.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.65 32.4 6.15 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.075 1.35 . . . . 0.0 113.991 -169.098 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t 57.64 52.04 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 126.082 1.753 . . . . 0.0 110.225 -166.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.4 141.18 28.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.479 1.112 . . . . 0.0 111.852 -175.296 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.06 137.91 56.77 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.466 2.706 . . . . 0.0 111.167 -6.246 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.99 145.22 49.23 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 123.766 0.698 . . . . 0.0 114.124 -171.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 m -56.79 138.74 52.76 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.082 1.753 . . . . 0.0 112.839 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -155.61 164.93 37.99 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.891 1.276 . . . . 0.0 113.817 -173.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt 61.43 152.86 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.262 3.025 . . . . 0.0 115.897 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -165.06 27.55 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.672 1.606 . . . . 0.0 113.861 177.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 54.12 31.42 13.84 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.096 1.758 . . . . 0.0 115.516 175.003 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.52 139.02 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.496 1.119 . . . . 0.0 111.586 178.278 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -80.46 -6.27 57.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -165.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -144.36 12.61 1.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.887 1.675 . . . . 0.0 113.937 -167.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.31 11.3 pt-20 51.78 31.81 8.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.855 2.462 . . . . 0.0 117.329 172.223 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.7 p -131.98 162.52 30.5 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.643 1.177 . . . . 0.0 112.026 168.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.27 142.08 33.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.466 1.107 . . . . 0.0 109.999 170.043 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 43.92 27.27 0.18 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 127.597 2.359 . . . . 0.0 116.005 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.9 t30 55.61 26.59 9.37 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.921 2.088 . . . . 0.0 114.744 -170.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -132.99 59.11 1.74 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.564 1.945 . . . . 0.0 111.379 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.32 -169.86 0.13 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.057 1.343 . . . . 0.0 114.17 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.91 146.59 28.8 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.89 -1.131 . . . . 0.0 109.632 166.044 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 49.98 60.04 15.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.95 70.0 6.07 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 124.157 3.238 . . . . 0.0 112.143 -177.493 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.9 ptp85 -141.06 164.93 28.94 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.086 1.754 . . . . 0.0 113.902 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.54 102.67 5.59 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 127.752 2.421 . . . . 0.0 109.723 -171.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.55 109.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 123.973 0.909 . . . . 0.0 108.659 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.27 15.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.22 1.008 . . . . 0.0 110.878 163.038 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -110.35 150.91 28.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.551 1.14 . . . . 0.0 110.322 169.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.12 139.64 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 110.933 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.93 124.02 49.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.92 1.688 . . . . 0.0 110.875 -177.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -76.98 177.63 7.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.892 1.277 . . . . 0.0 111.318 178.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.38 -16.03 61.35 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.246 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -88.66 1.64 54.69 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.183 0.901 . . . . 0.0 112.837 171.083 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.47 4.98 88.99 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.145 1.355 . . . . 0.0 114.68 -168.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.85 120.03 17.91 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.575 1.188 . . . . 0.0 108.728 -178.512 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.44 132.94 48.14 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.524 0.678 . . . . 0.0 111.915 -179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.88 160.46 31.75 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.523 1.529 . . . . 0.0 111.556 177.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -109.88 133.09 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.869 1.267 . . . . 0.0 110.918 -177.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.56 110.02 34.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 124.408 1.083 . . . . 0.0 109.88 178.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.41 118.46 3.93 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.374 2.716 . . . . 0.0 111.053 172.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -98.98 143.2 29.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.559 1.944 . . . . 0.0 111.438 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 157.11 26.92 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.375 -0.828 . . . . 0.0 110.972 174.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.04 -20.01 55.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.432 1.093 . . . . 0.0 113.67 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.87 -11.38 60.12 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.525 1.13 . . . . 0.0 113.311 173.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.41 161.97 18.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.738 2.015 . . . . 0.0 112.459 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.91 138.98 48.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.805 1.242 . . . . 0.0 111.357 174.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.61 110.16 2.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 127.637 2.375 . . . . 0.0 111.877 -173.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.37 153.21 66.28 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.388 2.725 . . . . 0.0 111.193 168.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.3 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.847 1.213 . . . . 0.0 115.238 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.3 p -142.72 160.11 40.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.337 1.068 . . . . 0.0 113.171 174.258 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -157.32 148.09 21.39 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.293 1.437 . . . . 0.0 112.246 -178.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 126.89 31.03 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.893 -1.129 . . . . 0.0 111.846 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.0 m -92.75 162.89 13.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.532 1.133 . . . . 0.0 112.578 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -67.35 -15.23 63.57 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -177.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.26 -17.14 64.67 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.141 0.976 . . . . 0.0 112.765 169.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.85 60.71 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.553 1.549 . . . . 0.0 113.63 -175.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.7 tpt -112.18 147.64 35.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.007 1.323 . . . . 0.0 111.397 177.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.14 110.01 2.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.981 0.913 . . . . 0.0 110.965 172.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.4 147.84 20.94 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.475 1.036 . . . . 0.0 112.533 176.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.0 m -107.08 139.8 40.91 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.8 -0.823 . . . . 0.0 111.686 173.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.0 tp -58.29 122.33 12.95 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.634 -176.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -137.5 156.04 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 126.119 1.768 . . . . 0.0 112.154 177.199 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.79 132.59 35.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.254 0.622 . . . . 0.0 109.538 159.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.12 -50.8 8.12 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.886 -0.509 . . . . 0.0 114.162 -171.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 50.02 31.65 5.02 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.4 1.88 . . . . 0.0 114.877 -178.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.4 mt -76.95 149.6 80.29 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.361 1.064 . . . . 0.0 112.458 -176.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -80.28 46.16 2.17 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 124.795 3.664 . . . . 0.0 112.475 179.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 40.46 59.98 7.39 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 127.71 2.404 . . . . 0.0 114.477 -174.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.17 162.04 43.88 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.826 3.018 . . . . 0.0 112.948 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -140.94 178.08 7.61 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 112.047 176.221 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.3 126.26 26.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 169.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.18 30.01 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.719 2.007 . . . . 0.0 111.587 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -58.79 148.37 68.62 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -169.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -82.45 154.57 76.51 Favored 'Cis proline' 0 CA--C 1.549 1.257 0 O-C-N 122.177 0.567 . . . . 0.0 113.135 -3.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -98.36 -17.16 6.47 Favored 'Cis proline' 0 CA--C 1.547 1.14 0 CA-C-N 119.501 0.857 . . . . 0.0 114.143 -5.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.764 1.626 . . . . 0.0 113.617 -169.251 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptp -71.45 159.99 33.52 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.934 0.894 . . . . 0.0 112.994 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 151.36 46.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.928 0.891 . . . . 0.0 112.591 176.001 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.22 64.93 7.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.969 1.307 . . . . 0.0 111.893 -178.514 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -141.18 158.72 43.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.976 1.71 . . . . 0.0 112.679 -176.29 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.56 147.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.548 1.539 . . . . 0.0 110.571 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.44 -34.8 20.01 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -126.9 170.68 11.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.591 1.956 . . . . 0.0 111.433 -172.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.8 22.89 78.27 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 115.198 0.839 . . . . 0.0 115.198 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -59.67 -29.24 67.92 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.803 1.302 . . . . 0.0 114.079 -174.049 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -86.26 55.91 3.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.807 1.643 . . . . 0.0 111.616 175.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp 54.24 36.39 24.96 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.807 2.043 . . . . 0.0 113.46 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.97 -148.12 18.85 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 126.168 1.842 . . . . 0.0 113.331 175.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 171.13 14.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.32 1.448 . . . . 0.0 112.797 -178.259 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.284 5.3 m 54.34 176.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 129.471 3.108 . . . . 0.0 116.827 176.328 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -150.12 131.57 14.74 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.416 1.486 . . . . 0.0 110.886 -177.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -159.06 154.36 25.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.055 1.342 . . . . 0.0 112.061 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.95 -9.02 58.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.346 1.459 . . . . 0.0 114.808 -172.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m 57.88 48.8 12.96 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.808 2.043 . . . . 0.0 112.875 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.66 151.03 45.39 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.225 -0.922 . . . . 0.0 110.913 169.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -126.62 13.26 7.5 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.955 1.702 . . . . 0.0 113.815 -168.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -63.31 146.35 53.65 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.308 1.043 . . . . 0.0 112.87 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -143.51 32.84 1.3 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.685 1.594 . . . . 0.0 112.368 -168.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 139.86 58.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.307 1.043 . . . . 0.0 113.526 -162.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 25' ' ' LEU 0.261 1.6 pt? -101.66 69.98 1.24 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.721 1.608 . . . . 0.0 112.496 -177.627 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.65 145.54 34.57 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.316 1.446 . . . . 0.0 112.281 -178.553 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.48 110.38 3.09 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.725 2.95 . . . . 0.0 110.527 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -140.96 165.46 27.49 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.64 101.96 5.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.288 2.635 . . . . 0.0 109.458 -172.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 110.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.489 1.116 . . . . 0.0 108.946 176.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 159.11 15.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 111.386 162.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -110.17 150.47 28.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.73 1.212 . . . . 0.0 110.328 167.084 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -139.38 140.83 37.56 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.339 1.056 . . . . 0.0 111.189 175.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -108.23 126.99 53.44 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.574 1.55 . . . . 0.0 111.722 -177.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -78.3 176.56 9.18 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.746 1.218 . . . . 0.0 111.246 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -79.42 -11.7 59.91 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.347 -0.845 . . . . 0.0 112.477 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -96.25 11.42 34.59 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.308 1.843 . . . . 0.0 111.549 175.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.16 89.11 Favored Glycine 0 N--CA 1.471 1.028 0 C-N-CA 126.552 2.025 . . . . 0.0 115.076 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.79 120.16 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.779 0.832 . . . . 0.0 110.818 -165.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.42 128.32 49.06 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.452 0.701 . . . . 0.0 111.565 -175.346 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.09 162.44 26.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.814 1.645 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -109.86 136.91 48.41 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.6 1.16 . . . . 0.0 111.178 -177.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -124.12 108.16 30.06 Favored Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 124.262 1.025 . . . . 0.0 109.992 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.09 118.4 4.03 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.341 2.694 . . . . 0.0 111.008 171.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.91 139.97 34.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.237 1.415 . . . . 0.0 111.282 173.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.34 160.88 22.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.89 0.876 . . . . 0.0 111.488 176.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.28 -21.35 48.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.093 1.357 . . . . 0.0 114.064 -176.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.42 -11.2 59.92 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.79 26.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.863 2.065 . . . . 0.0 112.553 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -136.17 145.6 45.95 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 112.154 174.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -57.95 110.1 2.28 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 128.263 2.625 . . . . 0.0 112.306 -168.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.83 150.61 44.56 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.306 2.671 . . . . 0.0 110.946 166.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.98 -29.89 15.08 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.826 1.679 . . . . 0.0 115.248 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.02 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.099 0.95 . . . . 0.0 112.801 172.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -157.46 148.04 21.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.158 1.383 . . . . 0.0 112.249 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 126.33 29.38 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.822 -1.174 . . . . 0.0 112.003 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.99 164.22 13.17 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 112.824 -178.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -68.43 -14.67 63.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -176.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -68.63 -17.07 64.04 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 121.638 0.733 . . . . 0.0 112.62 168.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.51 13.5 56.94 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.559 1.552 . . . . 0.0 113.779 -177.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 tpt -111.36 149.01 31.77 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.799 1.64 . . . . 0.0 111.285 176.036 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.12 109.89 2.77 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.528 0.731 . . . . 0.0 110.053 171.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.55 148.56 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.69 1.138 . . . . 0.0 112.25 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.1 m -106.26 140.2 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.724 -0.868 . . . . 0.0 111.369 172.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp -58.89 122.94 14.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.426 1.49 . . . . 0.0 112.725 -178.083 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.464 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -130.78 154.25 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.708 1.603 . . . . 0.0 112.248 177.771 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.47 125.24 31.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.899 0.88 . . . . 0.0 110.717 172.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.73 34.28 0.02 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.703 0.668 . . . . 0.0 114.247 -177.566 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -143.29 -159.9 1.04 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.298 1.839 . . . . 0.0 109.903 -174.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.76 153.24 16.74 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.548 1.539 . . . . 0.0 111.682 171.308 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.89 76.58 2.89 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.15 3.234 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 41.66 74.72 0.7 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.821 2.848 . . . . 0.0 114.316 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.51 130.75 15.0 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.267 2.645 . . . . 0.0 114.093 171.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 48.23 48.13 18.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.293 2.237 . . . . 0.0 114.514 -172.126 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -67.85 123.2 19.89 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.976 0.91 . . . . 0.0 109.817 164.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.6 t 60.59 131.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.365 1.866 . . . . 0.0 112.495 -159.011 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -84.44 -59.81 0.33 Allowed Pre-proline 0 N--CA 1.474 0.741 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.238 -175.818 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -61.42 157.54 40.51 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 122.588 2.192 . . . . 0.0 112.322 172.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.81 136.78 50.66 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.327 2.685 . . . . 0.0 113.0 -174.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.284 0 C-N-CA 127.452 2.301 . . . . 0.0 111.489 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.637 0.256 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.15 -17.35 63.4 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.725 -1.235 . . . . 0.0 113.458 176.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.63 -14.66 62.56 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 173.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -85.14 -3.33 58.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.502 1.121 . . . . 0.0 113.599 176.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -68.16 151.96 46.21 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.887 1.275 . . . . 0.0 112.402 178.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 m -80.04 148.26 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.193 1.397 . . . . 0.0 111.668 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.93 -10.25 43.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.088 1.355 . . . . 0.0 113.892 -176.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -137.53 154.21 49.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.263 1.825 . . . . 0.0 110.688 174.205 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.19 -31.57 0.54 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.171 1.367 . . . . 0.0 113.169 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 p -76.55 168.14 20.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.424 1.49 . . . . 0.0 112.194 165.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 tpp180 -60.9 135.5 57.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 111.601 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -139.97 170.71 15.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.125 1.77 . . . . 0.0 111.961 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.37 109.95 3.17 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 123.975 0.797 . . . . 0.0 112.734 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.42 157.77 42.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.888 1.675 . . . . 0.0 111.477 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -132.97 26.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 124.681 1.192 . . . . 0.0 112.091 -178.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m 53.94 49.01 19.92 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 168.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -109.95 -40.07 4.87 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.006 1.322 . . . . 0.0 113.516 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -163.83 -38.86 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.969 2.108 . . . . 0.0 111.642 170.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m 55.09 87.97 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.248 2.619 . . . . 0.0 113.395 171.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -150.28 155.2 39.24 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 130.366 3.467 . . . . 0.0 111.566 1.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -151.62 164.9 35.88 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.891 1.276 . . . . 0.0 113.769 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.96 162.16 20.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.08 1.352 . . . . 0.0 112.258 174.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.9 t60 54.13 39.09 30.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.631 1.972 . . . . 0.0 114.02 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.61 -169.91 3.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.401 1.881 . . . . 0.0 110.583 -175.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.63 139.93 36.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.316 0.646 . . . . 0.0 110.215 162.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.32 168.25 11.45 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.66 1.184 . . . . 0.0 112.007 -161.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -57.01 138.5 86.6 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.746 2.964 . . . . 0.0 111.867 169.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -141.04 167.75 21.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.413 -172.104 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.98 114.02 14.1 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 127.993 2.517 . . . . 0.0 108.969 178.736 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.12 101.82 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 123.88 0.872 . . . . 0.0 108.948 173.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.33 145.08 29.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.765 0.826 . . . . 0.0 111.634 176.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -101.03 151.14 22.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.193 0.997 . . . . 0.0 112.354 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.33 142.82 31.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.11 0.964 . . . . 0.0 111.566 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -109.39 126.28 53.27 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.115 1.766 . . . . 0.0 111.523 -179.046 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 p -77.15 176.22 8.92 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.919 1.288 . . . . 0.0 111.28 178.751 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.94 -11.62 60.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.374 -0.829 . . . . 0.0 112.468 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -96.2 11.44 34.42 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.126 1.77 . . . . 0.0 111.535 175.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.91 1.39 90.25 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 126.345 1.926 . . . . 0.0 114.941 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.53 120.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.732 0.766 . . . . 0.0 110.188 -167.568 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -102.52 127.87 49.4 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 111.391 -175.125 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -125.94 163.39 23.09 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.63 1.572 . . . . 0.0 111.73 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -111.19 131.94 54.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.221 1.408 . . . . 0.0 110.068 177.456 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.0 t -115.36 110.14 45.52 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.965 1.706 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.89 129.37 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.185 2.59 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.01 142.76 48.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.077 1.751 . . . . 0.0 111.028 174.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.05 159.19 20.26 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.035 -1.04 . . . . 0.0 111.466 176.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.91 -19.96 61.33 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.58 -13.92 61.1 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.838 1.255 . . . . 0.0 113.426 171.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.73 5.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.101 2.161 . . . . 0.0 112.619 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.75 167.15 21.05 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.003 1.721 . . . . 0.0 111.504 173.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 mm -91.7 109.38 36.31 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 126.501 1.92 . . . . 0.0 109.493 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.86 152.04 57.56 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.367 2.711 . . . . 0.0 110.749 168.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.85 15.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.648 1.594 . . . . 0.0 115.102 179.35 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -140.0 159.35 42.37 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.226 1.013 . . . . 0.0 112.516 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -157.76 148.02 20.6 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.26 1.424 . . . . 0.0 112.298 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 124.95 25.23 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.826 -1.171 . . . . 0.0 111.822 -179.052 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.75 165.09 12.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.043 1.337 . . . . 0.0 113.018 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -68.65 -13.86 62.64 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -69.12 -17.13 63.81 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 118.855 0.752 . . . . 0.0 112.539 168.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.48 49.85 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.484 1.516 . . . . 0.0 113.879 -176.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.1 tpt -115.89 149.85 38.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.669 1.587 . . . . 0.0 111.514 176.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.79 110.03 2.68 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.684 0.794 . . . . 0.0 110.173 171.769 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.69 148.6 22.81 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.512 1.053 . . . . 0.0 112.212 175.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 m -106.41 137.93 43.5 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.744 -0.857 . . . . 0.0 111.691 173.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 120.67 10.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.752 1.621 . . . . 0.0 111.917 -172.313 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.83 155.95 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.505 1.922 . . . . 0.0 110.269 172.736 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -140.12 147.36 40.1 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.142 -0.974 . . . . 0.0 112.096 167.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.79 -6.95 68.53 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.702 1.144 . . . . 0.0 115.422 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.14 157.47 43.41 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.763 2.425 . . . . 0.0 107.75 172.117 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.73 129.21 91.31 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.61 1.164 . . . . 0.0 111.791 -172.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -82.2 56.23 5.71 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.373 3.382 . . . . 0.0 111.845 -176.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 41.16 59.99 8.26 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.43 2.292 . . . . 0.0 114.206 -174.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -78.83 59.9 7.49 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.686 3.591 . . . . 0.0 112.956 -172.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -130.21 -15.63 3.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.419 2.288 . . . . 0.0 113.662 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.74 135.24 57.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 112.187 -169.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.59 153.76 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.324 1.05 . . . . 0.0 112.664 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -145.05 136.38 12.6 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 125.929 1.691 . . . . 0.0 110.123 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -60.22 148.75 88.7 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.806 2.338 . . . . 0.0 112.443 -179.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -82.98 -0.86 54.22 Favored 'Cis proline' 0 CA--C 1.547 1.132 0 N-CA-C 115.382 1.262 . . . . 0.0 115.382 9.018 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 124.681 1.192 . . . . 0.0 112.906 -179.798 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 96.7 mtp -85.7 -13.91 47.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -174.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.35 151.45 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.14 2.176 . . . . 0.0 114.212 -163.019 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.9 t0 58.0 171.3 0.05 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.823 1.649 . . . . 0.0 113.269 -163.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 130.92 41.74 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.205 -1.56 . . . . 0.0 110.922 173.569 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 t -146.28 147.32 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.139 1.776 . . . . 0.0 108.786 179.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -78.64 4.42 13.64 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -135.97 174.02 11.07 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.627 2.771 . . . . 0.0 110.039 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.28 -89.77 0.06 OUTLIER Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.076 1.322 . . . . 0.0 113.742 171.126 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -57.99 -30.52 66.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.279 1.032 . . . . 0.0 112.511 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -96.79 120.17 36.62 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.783 1.233 . . . . 0.0 109.512 162.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.35 143.51 42.82 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.65 0.78 . . . . 0.0 111.3 -178.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.92 170.51 33.63 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.463 1.03 . . . . 0.0 113.838 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.6 36.21 2.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.792 1.637 . . . . 0.0 111.795 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.46 150.99 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.117 1.367 . . . . 0.0 114.064 -170.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 17' ' ' TYR . 66.3 m -138.53 117.41 12.39 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.091 1.756 . . . . 0.0 110.0 179.23 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 16' ' ' SER 0.253 95.2 m-85 63.3 142.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 1 C-N-CA 133.74 4.816 . . . . 0.0 118.136 10.378 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.53 110.12 14.07 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.704 -1.589 . . . . 0.0 107.742 139.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -86.67 134.74 33.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.669 0.788 . . . . 0.0 111.492 -159.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -145.41 151.22 37.9 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.276 1.43 . . . . 0.0 110.638 174.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -140.36 139.85 35.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.607 1.163 . . . . 0.0 112.48 -177.17 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -137.86 167.55 21.51 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.544 1.938 . . . . 0.0 110.679 166.309 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 51.52 42.03 29.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.192 1.397 . . . . 0.0 113.699 -179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.16 166.29 2.2 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.966 1.706 . . . . 0.0 115.019 -171.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.2 mt -71.29 99.0 1.85 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.677 1.191 . . . . 0.0 111.815 -172.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.91 152.05 47.02 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 110.817 178.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.63 111.28 3.2 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 123.558 2.839 . . . . 0.0 112.051 -173.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.2 ptt-85 -141.01 166.56 24.44 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.093 1.757 . . . . 0.0 113.902 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.47 101.93 5.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 127.669 2.388 . . . . 0.0 109.144 -174.109 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.24 108.33 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 154.37 17.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.298 1.039 . . . . 0.0 110.282 164.163 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -104.29 153.35 21.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.87 0.868 . . . . 0.0 110.358 169.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -139.32 138.16 36.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.581 1.153 . . . . 0.0 111.142 172.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 ttp85 -104.25 125.72 50.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -178.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.2 p -79.68 177.97 8.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.734 1.214 . . . . 0.0 111.761 178.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.46 -16.45 61.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -178.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.04 1.79 55.93 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.2 0.909 . . . . 0.0 112.871 171.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.09 88.8 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.931 1.253 . . . . 0.0 114.625 -168.392 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.26 120.0 18.27 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.541 1.171 . . . . 0.0 108.567 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.34 132.58 48.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.496 0.665 . . . . 0.0 111.6 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.43 159.97 30.59 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.625 1.57 . . . . 0.0 111.27 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.17 127.59 55.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.435 1.094 . . . . 0.0 110.414 -175.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -117.37 109.45 42.14 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 124.728 1.211 . . . . 0.0 109.432 -177.576 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.73 118.39 4.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.604 2.203 . . . . 0.0 110.923 172.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -98.05 143.38 28.66 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.827 1.651 . . . . 0.0 110.635 172.422 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.62 28.22 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.317 -0.865 . . . . 0.0 109.912 173.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -19.81 58.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.92 -15.14 62.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.256 1.022 . . . . 0.0 112.926 172.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.73 171.16 7.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.837 2.055 . . . . 0.0 112.17 176.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.12 148.63 43.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.745 1.618 . . . . 0.0 111.362 173.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -66.39 110.1 4.31 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 128.351 2.66 . . . . 0.0 111.652 -173.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.75 150.33 55.95 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.389 2.726 . . . . 0.0 110.914 167.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -29.95 14.86 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.697 1.618 . . . . 0.0 115.485 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -140.0 159.74 41.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.248 1.024 . . . . 0.0 112.506 171.065 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.82 148.06 23.58 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.326 1.45 . . . . 0.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 125.97 28.32 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.893 -1.13 . . . . 0.0 111.446 -179.411 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.2 m -92.55 161.94 14.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.448 1.099 . . . . 0.0 112.769 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -70.32 -10.78 59.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -175.588 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.78 -17.11 63.98 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.191 0.996 . . . . 0.0 112.663 167.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 12.73 61.51 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.418 1.485 . . . . 0.0 113.684 -174.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.5 tpp -112.75 146.87 38.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.556 1.542 . . . . 0.0 111.306 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.02 110.14 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.134 0.974 . . . . 0.0 110.241 175.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.87 148.56 20.38 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.461 1.029 . . . . 0.0 113.091 178.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -110.36 138.11 47.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.851 0.86 . . . . 0.0 112.036 175.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 122.37 14.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.072 1.749 . . . . 0.0 111.896 -170.584 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -126.41 151.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.306 1.842 . . . . 0.0 110.422 167.783 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.01 120.82 24.71 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.959 178.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.48 49.96 3.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.233 1.397 . . . . 0.0 114.15 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t0 52.71 37.06 22.68 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.931 1.692 . . . . 0.0 112.975 -170.043 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.6 126.6 90.72 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.364 1.465 . . . . 0.0 111.33 -173.022 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.57 -41.21 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.581 2.187 . . . . 0.0 113.325 -176.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -141.56 59.91 10.79 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.973 1.309 . . . . 0.0 114.342 -176.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -78.48 59.9 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.51 3.473 . . . . 0.0 112.141 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -129.35 142.4 50.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.145 2.178 . . . . 0.0 111.219 -176.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -144.41 151.81 39.78 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.821 2.049 . . . . 0.0 110.747 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -127.28 120.53 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.74 1.216 . . . . 0.0 112.374 -176.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -63.05 158.4 54.99 Favored Pre-proline 0 N--CA 1.485 1.307 1 C-N-CA 132.137 4.175 . . . . 0.0 111.986 -9.594 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -65.23 166.98 49.0 Favored 'Cis proline' 0 CA--C 1.547 1.164 0 CA-C-N 121.138 1.442 . . . . 0.0 115.217 4.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.13 161.78 86.53 Favored 'Cis proline' 0 CA--C 1.54 0.8 0 CA-C-N 120.499 1.214 . . . . 0.0 114.313 6.283 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.562 1.945 . . . . 0.0 111.519 -178.971 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -19.17 45.87 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.153 2.581 . . . . 0.0 113.576 -5.756 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.76 179.98 6.31 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.134 1.374 . . . . 0.0 111.652 168.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.78 -26.05 67.53 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 177.511 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -71.79 152.01 43.04 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.419 1.488 . . . . 0.0 113.027 174.066 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.292 11.7 p 50.04 120.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 130.421 3.489 . . . . 0.0 116.285 175.225 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.09 17.63 0.75 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.349 -1.469 . . . . 0.0 114.183 -175.464 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -150.74 171.29 17.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.737 2.015 . . . . 0.0 110.737 -178.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.63 -14.16 69.46 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.311 0.884 . . . . 0.0 115.311 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.6 p -73.66 140.92 46.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.634 1.574 . . . . 0.0 115.004 -173.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.54 158.72 34.52 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.328 2.251 . . . . 0.0 110.03 162.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.6 tp -141.75 -31.5 0.56 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -172.296 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.18 12.97 81.56 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 123.79 0.709 . . . . 0.0 114.714 -172.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.85 170.86 15.32 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.954 1.701 . . . . 0.0 112.139 -178.407 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -71.72 170.8 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.506 1.522 . . . . 0.0 113.624 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t 60.35 70.54 0.62 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.485 1.914 . . . . 0.0 113.187 -175.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -151.61 -168.78 3.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.716 2.006 . . . . 0.0 111.02 -175.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.99 4.85 3.79 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . 0.261 4.8 m 61.77 42.26 10.85 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.745 2.018 . . . . 0.0 114.289 166.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.88 100.82 4.92 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.952 -1.093 . . . . 0.0 108.712 156.494 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -77.47 111.84 13.61 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.084 -1.01 . . . . 0.0 111.378 -169.297 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -130.18 80.14 1.94 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 130.361 3.465 . . . . 0.0 110.084 -1.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 59.97 170.23 0.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.722 2.409 . . . . 0.0 114.521 -170.009 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -110.29 160.6 16.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.693 1.597 . . . . 0.0 113.886 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.21 138.8 49.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.419 1.488 . . . . 0.0 110.0 172.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.39 111.72 25.98 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.444 1.497 . . . . 0.0 110.442 176.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -64.5 99.5 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.702 2.934 . . . . 0.0 113.401 -178.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -141.1 167.57 21.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 114.139 178.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.12 110.29 9.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.955 2.502 . . . . 0.0 109.149 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -87.89 107.45 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 173.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.96 166.1 11.77 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.929 0.892 . . . . 0.0 111.237 170.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.32 154.21 31.64 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.717 1.207 . . . . 0.0 110.76 169.022 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -141.79 141.67 33.19 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.863 1.265 . . . . 0.0 111.085 174.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -107.38 125.19 50.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.583 1.953 . . . . 0.0 110.666 -178.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -80.43 178.33 8.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.796 1.239 . . . . 0.0 111.82 -178.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.87 -16.55 61.58 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.58 2.16 56.08 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.173 0.897 . . . . 0.0 112.747 171.287 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.67 8.63 87.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.882 1.229 . . . . 0.0 114.614 -168.062 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.7 119.89 19.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.794 1.297 . . . . 0.0 108.265 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -102.54 132.78 48.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.219 0.608 . . . . 0.0 111.677 -178.092 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.0 163.15 27.09 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.236 1.414 . . . . 0.0 112.259 178.145 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.96 134.24 52.32 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.449 1.499 . . . . 0.0 110.892 -178.077 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.2 110.01 29.06 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.921 1.289 . . . . 0.0 110.736 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.14 130.08 18.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.354 3.369 . . . . 0.0 112.167 168.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.66 142.54 47.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.617 1.967 . . . . 0.0 111.251 171.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.5 157.12 24.96 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.239 -0.913 . . . . 0.0 110.799 174.1 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.24 -19.9 56.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.392 1.077 . . . . 0.0 113.836 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.92 -13.39 61.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.6 1.16 . . . . 0.0 113.215 172.369 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.61 162.12 18.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.03 2.132 . . . . 0.0 112.213 177.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -131.84 141.44 49.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.303 . . . . 0.0 111.064 172.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.34 110.09 2.22 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 127.789 2.436 . . . . 0.0 111.182 -173.238 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.46 149.83 56.83 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.269 2.646 . . . . 0.0 110.49 170.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.97 -29.97 15.17 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.503 1.525 . . . . 0.0 115.202 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 p -139.98 159.9 41.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.174 0.987 . . . . 0.0 112.257 170.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -157.16 148.03 21.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.626 1.57 . . . . 0.0 111.715 -178.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 125.03 25.31 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.958 -1.089 . . . . 0.0 111.635 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.63 165.51 14.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.371 1.069 . . . . 0.0 112.535 -179.1 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -67.14 -16.56 64.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.284 1.034 . . . . 0.0 113.65 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.03 -17.17 63.86 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.191 1.396 . . . . 0.0 113.388 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 11.6 63.21 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.839 1.209 . . . . 0.0 113.687 -173.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -111.15 147.1 35.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.741 1.616 . . . . 0.0 110.958 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.24 110.02 3.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.668 0.787 . . . . 0.0 110.33 175.099 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.06 149.14 21.92 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.543 1.068 . . . . 0.0 112.924 176.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 m -108.46 137.94 45.59 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.941 0.896 . . . . 0.0 111.776 174.227 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.11 122.15 13.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.912 1.685 . . . . 0.0 111.001 -174.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -122.9 156.08 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.987 1.715 . . . . 0.0 111.618 173.175 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.93 123.65 18.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.523 0.729 . . . . 0.0 111.502 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.53 49.92 0.02 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.153 1.359 . . . . 0.0 111.393 -174.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -146.55 -159.9 1.08 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.839 2.056 . . . . 0.0 110.755 -159.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.63 150.26 67.43 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.798 1.239 . . . . 0.0 113.681 -174.304 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -79.76 48.25 2.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 124.88 3.72 . . . . 0.0 112.562 178.122 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 41.03 60.02 8.06 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 127.837 2.455 . . . . 0.0 114.994 -177.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -68.49 159.85 51.74 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.589 2.859 . . . . 0.0 112.61 176.186 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -124.05 156.48 36.45 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.512 1.525 . . . . 0.0 111.85 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.72 41.8 0.58 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.094 1.758 . . . . 0.0 113.221 179.13 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.91 155.45 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.883 1.273 . . . . 0.0 112.123 176.064 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -146.07 152.24 46.86 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.337 1.455 . . . . 0.0 111.872 -178.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -69.73 159.28 54.02 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 123.267 2.645 . . . . 0.0 112.584 176.072 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.41 -12.68 18.79 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.737 2.958 . . . . 0.0 114.287 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.63 1.972 . . . . 0.0 111.584 -178.269 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 119.742 -0.171 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -148.86 161.1 42.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 129.352 3.061 . . . . 0.0 111.422 -4.405 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.77 161.87 38.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.31 1.444 . . . . 0.0 112.085 178.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -145.47 171.29 14.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.474 1.51 . . . . 0.0 111.136 177.12 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.74 19.87 0.37 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -170.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 m -139.53 152.12 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 128.435 2.694 . . . . 0.0 111.577 -175.296 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.3 153.76 37.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.105 0.962 . . . . 0.0 111.51 174.256 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -71.33 135.27 47.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.324 1.05 . . . . 0.0 111.428 177.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.47 -163.18 33.36 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.052 1.31 . . . . 0.0 112.576 -178.434 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -68.96 156.29 38.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.383 0.673 . . . . 0.0 112.024 174.104 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -114.33 69.27 0.71 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.839 1.656 . . . . 0.0 111.135 -171.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.51 147.91 52.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.482 1.113 . . . . 0.0 111.485 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.91 47.72 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 127.292 2.377 . . . . 0.0 113.221 -2.597 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.1 165.81 26.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.156 2.582 . . . . 0.0 111.985 1.352 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.87 150.74 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.346 1.059 . . . . 0.0 113.149 -176.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.6 p -121.64 16.88 11.17 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.726 1.61 . . . . 0.0 113.066 177.714 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -148.52 17.72 1.04 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.35 2.26 . . . . 0.0 113.044 -167.146 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 52.91 36.42 21.7 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.825 2.05 . . . . 0.0 114.067 177.642 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 59.12 20.52 8.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.867 1.667 . . . . 0.0 113.969 -179.161 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.04 153.64 42.44 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.551 -1.343 . . . . 0.0 112.006 172.436 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -66.06 -21.57 66.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.237 1.015 . . . . 0.0 113.67 179.033 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.79 54.62 10.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.776 2.03 . . . . 0.0 113.694 170.321 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -66.53 138.25 57.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.521 0.729 . . . . 0.0 111.472 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 57.07 175.13 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.142 1.777 . . . . 0.0 114.682 -171.247 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.32 139.8 50.68 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.187 1.395 . . . . 0.0 111.628 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.76 30.57 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.21 1.804 . . . . 0.0 110.636 175.422 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.25 151.32 81.17 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.204 2.603 . . . . 0.0 111.61 174.065 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -141.04 163.08 33.94 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.69 102.04 5.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.182 2.593 . . . . 0.0 109.505 -172.586 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 108.84 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.102 0.961 . . . . 0.0 108.536 175.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.93 13.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 111.116 167.249 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.08 149.88 32.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.958 1.303 . . . . 0.0 110.64 170.299 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.83 140.89 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.02 0.928 . . . . 0.0 111.012 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -108.1 124.17 49.82 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.228 1.811 . . . . 0.0 111.204 -178.636 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -77.3 177.65 7.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.042 1.337 . . . . 0.0 111.353 178.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.4 -15.44 61.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.42 0.66 56.0 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.151 0.887 . . . . 0.0 112.739 170.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.93 4.79 88.39 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.224 1.392 . . . . 0.0 114.701 -168.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.68 120.03 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.7 1.25 . . . . 0.0 109.051 -178.398 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -102.37 134.39 45.75 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.646 0.736 . . . . 0.0 112.324 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.08 159.96 35.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.838 1.655 . . . . 0.0 111.715 178.345 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -112.44 128.95 56.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.439 1.496 . . . . 0.0 111.035 -174.556 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.54 110.0 32.37 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.549 1.14 . . . . 0.0 110.86 -177.185 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.67 123.55 8.13 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.035 3.157 . . . . 0.0 111.879 169.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.02 140.39 39.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.426 1.89 . . . . 0.0 111.395 171.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.86 160.12 24.85 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.41 -0.806 . . . . 0.0 111.182 175.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.38 -20.04 58.04 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.464 1.106 . . . . 0.0 113.57 178.417 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.95 -13.82 61.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.064 1.346 . . . . 0.0 113.471 172.009 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.34 160.67 22.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.716 2.007 . . . . 0.0 112.511 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -130.91 140.28 50.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.971 1.308 . . . . 0.0 111.177 172.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.4 mm -55.34 110.07 2.0 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 127.981 2.512 . . . . 0.0 111.872 -173.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.13 149.65 52.48 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.353 2.702 . . . . 0.0 110.715 168.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.89 15.82 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.665 1.602 . . . . 0.0 115.131 179.262 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.6 p -139.91 160.36 40.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.056 0.928 . . . . 0.0 112.853 171.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.05 146.81 22.0 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.074 1.35 . . . . 0.0 112.251 -179.132 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 125.55 27.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.764 -1.21 . . . . 0.0 111.596 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -96.59 163.23 13.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.802 1.241 . . . . 0.0 113.069 -177.038 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -68.47 -13.48 62.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -174.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.11 -17.05 64.7 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.999 0.92 . . . . 0.0 112.723 168.227 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.65 13.48 59.53 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.558 1.551 . . . . 0.0 113.728 -174.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.8 tpt -115.54 148.99 38.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.207 1.403 . . . . 0.0 111.521 178.294 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.66 110.04 2.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.82 0.848 . . . . 0.0 110.131 172.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.27 146.48 21.85 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.477 1.037 . . . . 0.0 112.158 175.21 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -105.72 140.02 39.41 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.852 -0.793 . . . . 0.0 111.584 173.276 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.19 123.31 16.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.309 1.443 . . . . 0.0 112.665 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.402 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -131.1 156.0 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.556 1.542 . . . . 0.0 111.412 177.159 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -137.7 138.9 39.84 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.372 1.069 . . . . 0.0 111.915 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.99 -9.72 27.3 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 116.389 1.316 . . . . 0.0 116.389 161.3 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 65.7 156.7 0.09 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.124 2.17 . . . . 0.0 115.272 -178.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.4 157.09 90.72 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.716 1.606 . . . . 0.0 111.281 171.729 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -69.39 28.63 0.17 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 124.785 3.657 . . . . 0.0 115.586 175.553 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 40.71 59.94 7.71 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 127.673 2.389 . . . . 0.0 113.503 -166.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.66 138.93 42.85 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.59 2.86 . . . . 0.0 112.131 -178.65 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -162.22 166.5 25.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.253 1.821 . . . . 0.0 111.948 -171.098 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -137.07 138.42 40.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.839 1.655 . . . . 0.0 110.766 174.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.7 m -80.18 142.18 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.052 0.941 . . . . 0.0 111.774 172.6 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -138.0 150.57 67.79 Favored Pre-proline 0 N--CA 1.479 1.019 0 C-N-CA 125.919 1.688 . . . . 0.0 110.247 -178.351 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.84 164.36 39.06 Favored 'Cis proline' 0 CA--C 1.55 1.315 0 CA-C-N 121.442 1.551 . . . . 0.0 114.517 -0.139 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -85.28 -50.15 0.16 OUTLIER 'Cis proline' 0 C--N 1.357 1.025 0 N-CA-C 116.841 1.823 . . . . 0.0 116.841 14.588 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 124.948 1.299 . . . . 0.0 113.216 -164.331 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.586 0.231 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.1 mtt -81.8 66.58 7.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.246 1.418 . . . . 0.0 111.731 -179.063 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.95 157.21 45.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.868 1.667 . . . . 0.0 111.999 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -150.6 171.32 17.29 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.917 1.687 . . . . 0.0 110.83 -178.418 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -76.81 19.96 0.26 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.433 1.493 . . . . 0.0 113.432 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.19 139.88 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 128.102 2.561 . . . . 0.0 107.985 175.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.83 141.53 57.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.391 0.677 . . . . 0.0 112.264 -176.648 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -81.6 159.97 23.92 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.097 1.359 . . . . 0.0 112.058 175.137 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.82 -166.62 54.57 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.392 0.996 . . . . 0.0 113.742 -175.644 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -149.74 168.72 22.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.167 1.387 . . . . 0.0 112.104 -179.148 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.81 142.27 48.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.544 1.937 . . . . 0.0 110.773 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -73.48 122.64 22.48 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.239 1.016 . . . . 0.0 112.456 -173.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.88 -7.13 9.95 Favored Glycine 0 CA--C 1.539 1.579 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 167.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.22 176.71 12.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.267 1.427 . . . . 0.0 112.32 -176.613 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -74.82 164.58 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.816 1.246 . . . . 0.0 112.913 175.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 t -147.0 145.95 29.9 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.135 1.374 . . . . 0.0 110.941 171.3 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -152.8 160.17 43.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.577 1.551 . . . . 0.0 111.867 -176.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.42 -12.4 60.04 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -172.095 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m 54.82 39.15 31.28 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.458 1.903 . . . . 0.0 113.094 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -80.37 29.71 0.29 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.167 -1.583 . . . . 0.0 114.01 -177.378 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 mtp-105 -145.41 30.73 1.11 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.376 2.67 . . . . 0.0 110.937 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -61.06 136.06 57.96 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -162.453 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -154.58 148.12 25.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.274 2.229 . . . . 0.0 109.007 169.502 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 56.95 -169.87 0.1 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.1 0.96 . . . . 0.0 112.764 -170.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.99 70.01 2.65 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.41 -1.431 . . . . 0.0 112.285 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.94 131.81 23.84 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.815 1.646 . . . . 0.0 110.387 -174.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -80.05 96.69 1.03 Allowed 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.642 -1.399 . . . . 0.0 111.925 -56.189 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -141.13 166.26 25.26 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.773 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.47 113.0 12.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.419 2.687 . . . . 0.0 108.969 -178.665 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 mm -87.59 107.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 163.09 13.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.569 0.748 . . . . 0.0 110.97 170.068 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -120.11 148.85 43.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.949 1.3 . . . . 0.0 110.766 174.331 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -140.07 143.56 36.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.96 0.904 . . . . 0.0 111.843 176.636 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -109.25 125.25 52.08 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.88 2.072 . . . . 0.0 111.052 -178.236 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p -78.13 177.18 8.56 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.141 1.376 . . . . 0.0 111.401 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.07 -11.15 59.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.428 -0.795 . . . . 0.0 112.598 -178.598 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.47 11.83 37.01 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.431 1.892 . . . . 0.0 111.553 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.95 1.63 89.91 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.479 1.99 . . . . 0.0 115.151 -178.232 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.8 120.12 25.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.542 0.671 . . . . 0.0 110.21 -167.651 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -102.46 127.58 49.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.349 0.659 . . . . 0.0 111.684 -176.155 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -126.78 163.68 23.02 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.966 1.706 . . . . 0.0 111.651 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -109.92 138.26 46.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -126.49 110.04 23.27 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 125.077 1.351 . . . . 0.0 110.211 177.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -71.11 130.02 17.05 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.231 3.287 . . . . 0.0 111.759 169.293 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -117.26 142.31 47.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.518 1.927 . . . . 0.0 111.31 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.44 159.3 21.79 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 178.031 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.27 -20.38 58.79 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 176.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.74 -11.86 60.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.41 172.39 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.95 174.06 6.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.16 2.184 . . . . 0.0 112.753 -177.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -132.55 167.12 20.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.208 1.803 . . . . 0.0 111.102 171.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.0 mm -88.51 109.99 33.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 126.839 2.056 . . . . 0.0 109.431 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.38 151.92 60.21 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.564 2.842 . . . . 0.0 110.609 168.755 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.95 15.62 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.388 1.47 . . . . 0.0 115.075 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.3 p -140.07 160.09 40.73 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.286 1.043 . . . . 0.0 112.472 171.444 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.14 148.2 20.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.483 1.513 . . . . 0.0 111.994 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 125.79 27.39 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.828 -1.17 . . . . 0.0 111.984 -179.318 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.8 m -93.69 164.58 13.09 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.613 1.165 . . . . 0.0 112.701 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -67.65 -14.89 63.33 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -176.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.32 -17.11 63.68 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 118.792 0.724 . . . . 0.0 112.766 169.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.05 14.25 56.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.489 1.519 . . . . 0.0 113.965 -177.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.3 tpp -111.74 147.89 34.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.147 1.779 . . . . 0.0 110.779 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.52 110.03 4.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.667 -0.646 . . . . 0.0 109.996 172.205 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.28 149.35 27.59 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.233 0.92 . . . . 0.0 112.312 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 m -103.9 139.01 39.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.766 0.826 . . . . 0.0 111.445 172.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 121.46 11.94 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.259 1.423 . . . . 0.0 110.722 -176.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.502 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.0 156.04 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 125.596 1.558 . . . . 0.0 112.722 179.358 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -103.21 141.77 35.31 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.96 1.304 . . . . 0.0 111.356 173.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.07 -46.51 0.08 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.358 0.98 . . . . 0.0 112.839 172.668 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.0 102.8 3.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.539 1.536 . . . . 0.0 109.043 168.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -130.08 155.62 80.44 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.029 1.732 . . . . 0.0 111.065 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.11 59.85 7.15 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 124.524 3.483 . . . . 0.0 112.065 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 38.31 66.15 2.66 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 128.341 2.656 . . . . 0.0 115.332 -177.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -60.09 165.28 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.215 2.61 . . . . 0.0 114.146 172.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.08 157.69 18.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.543 1.137 . . . . 0.0 113.361 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -66.92 138.01 56.97 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.465 1.106 . . . . 0.0 111.146 174.096 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.89 162.09 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 126.45 1.9 . . . . 0.0 111.052 178.112 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.35 156.87 74.25 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 125.645 1.578 . . . . 0.0 111.758 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.91 152.54 63.52 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.301 2.668 . . . . 0.0 113.883 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -68.97 152.48 73.33 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.454 2.769 . . . . 0.0 112.382 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.306 1.842 . . . . 0.0 111.692 -179.687 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 119.773 -0.156 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -98.63 155.25 17.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.131 2.972 . . . . 0.0 111.003 -4.281 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.89 178.29 5.66 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 128.715 2.806 . . . . 0.0 113.509 -1.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -141.48 159.25 42.6 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.683 1.593 . . . . 0.0 111.378 177.231 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -72.49 146.63 46.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.593 1.157 . . . . 0.0 112.205 -178.202 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.5 158.18 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.402 1.881 . . . . 0.0 111.707 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.51 155.23 36.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.208 1.003 . . . . 0.0 111.635 171.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -82.81 144.62 30.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.183 1.393 . . . . 0.0 111.591 175.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.22 95.84 1.03 Allowed Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.14 1.352 . . . . 0.0 111.386 165.143 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.7 p -147.96 -46.07 0.16 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.999 2.4 . . . . 0.0 113.661 -1.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -69.33 141.12 54.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -170.054 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.76 -39.8 11.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.78 2.432 . . . . 0.0 112.597 -3.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.97 4.66 59.15 Favored Glycine 0 CA--C 1.54 1.64 0 N-CA-C 117.291 1.677 . . . . 0.0 117.291 -167.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.5 29.89 7.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.181 1.792 . . . . 0.0 114.844 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 m -143.85 157.46 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 128.248 2.619 . . . . 0.0 109.513 171.005 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.8 m -91.9 141.19 28.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.937 0.895 . . . . 0.0 112.127 -176.205 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -156.86 -40.19 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -178.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -161.39 43.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.321 2.249 . . . . 0.0 108.613 -178.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -115.9 143.45 45.41 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.631 1.172 . . . . 0.0 113.408 -148.57 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.03 148.51 49.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 111.416 -175.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -11.41 60.72 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -177.858 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -133.82 62.68 1.65 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.541 1.936 . . . . 0.0 109.058 175.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -66.03 -30.69 71.27 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -156.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -141.21 152.54 44.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.15 1.38 . . . . 0.0 111.917 172.53 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -139.56 143.34 37.3 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.217 1.807 . . . . 0.0 110.312 173.067 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 50.06 72.41 1.25 Allowed Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.433 1.493 . . . . 0.0 113.378 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.53 125.66 19.77 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.729 2.953 . . . . 0.0 110.86 177.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -141.15 167.68 21.6 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -165.386 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.39 103.93 5.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 128.285 2.634 . . . . 0.0 109.792 -178.477 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 109.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 121.065 -1.022 . . . . 0.0 108.254 170.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 154.4 17.33 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.229 1.012 . . . . 0.0 110.34 164.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -104.6 153.91 20.61 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.829 0.852 . . . . 0.0 110.218 168.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -140.3 139.25 35.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.603 1.161 . . . . 0.0 111.491 173.051 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.47 124.52 49.73 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.022 1.729 . . . . 0.0 111.363 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 177.07 8.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.626 1.17 . . . . 0.0 111.681 179.05 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.52 -14.96 61.31 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.19 0.41 56.11 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 119.141 0.882 . . . . 0.0 112.752 170.298 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.62 4.02 87.87 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.262 1.41 . . . . 0.0 114.766 -168.396 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.94 120.03 17.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.686 1.243 . . . . 0.0 109.126 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.35 132.72 48.15 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.538 0.685 . . . . 0.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.2 159.93 34.52 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.555 1.542 . . . . 0.0 111.718 178.567 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -110.01 131.62 54.9 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.827 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.44 108.83 31.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 110.198 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -75.18 123.21 7.62 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.662 2.908 . . . . 0.0 111.473 170.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.13 143.61 33.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.597 1.959 . . . . 0.0 111.061 171.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 159.39 21.66 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.386 -0.821 . . . . 0.0 111.009 174.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.54 -19.93 58.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.58 1.152 . . . . 0.0 113.581 178.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -72.01 -13.38 61.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.943 1.297 . . . . 0.0 113.333 172.041 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.24 167.53 11.77 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.137 2.175 . . . . 0.0 112.289 178.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.92 148.79 47.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.839 1.256 . . . . 0.0 111.716 170.702 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.21 110.13 3.23 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 128.224 2.61 . . . . 0.0 111.491 -172.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.6 149.81 55.99 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.266 2.644 . . . . 0.0 110.715 168.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.82 15.51 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.631 1.586 . . . . 0.0 115.458 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.0 p -140.13 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.16 0.98 . . . . 0.0 112.399 171.307 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.97 148.04 23.34 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.331 1.452 . . . . 0.0 112.067 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 125.12 26.23 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.053 -1.029 . . . . 0.0 111.589 -177.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.6 m -95.41 163.7 13.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.927 1.291 . . . . 0.0 113.111 -177.474 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -71.05 -11.02 60.73 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.559 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.83 -17.14 64.41 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.146 0.979 . . . . 0.0 112.568 166.003 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.13 16.09 54.57 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.481 1.515 . . . . 0.0 113.759 -175.541 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.83 149.34 41.69 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.147 1.379 . . . . 0.0 111.659 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -63.77 110.02 1.92 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.991 0.916 . . . . 0.0 110.261 171.25 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.97 148.18 21.42 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.59 1.091 . . . . 0.0 112.331 175.276 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -108.26 138.0 45.28 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.605 -0.938 . . . . 0.0 112.142 175.375 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 121.85 12.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.082 1.753 . . . . 0.0 111.839 -171.111 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -127.86 156.02 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.476 1.91 . . . . 0.0 110.577 169.179 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.58 125.79 27.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.73 62.72 2.38 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.231 1.395 . . . . 0.0 112.022 167.493 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.96 61.06 3.73 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.89 1.676 . . . . 0.0 113.136 -168.539 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.58 151.64 91.55 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.065 1.346 . . . . 0.0 111.767 175.605 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -79.77 52.18 4.19 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 124.616 3.544 . . . . 0.0 112.28 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 34.95 59.98 2.38 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 128.058 2.543 . . . . 0.0 115.379 -173.555 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.77 141.68 91.22 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.93 2.42 . . . . 0.0 114.098 -173.365 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -146.91 -60.02 0.29 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.226 1.41 . . . . 0.0 111.928 174.36 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -93.65 56.5 2.38 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.846 1.658 . . . . 0.0 111.016 176.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.45 140.63 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.985 1.714 . . . . 0.0 110.196 -172.366 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -131.38 158.02 76.48 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 126.07 1.748 . . . . 0.0 111.334 177.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -58.8 151.78 61.84 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 123.312 2.675 . . . . 0.0 113.817 177.317 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.69 -16.29 16.67 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.57 2.847 . . . . 0.0 114.188 -177.184 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.551 1.941 . . . . 0.0 111.613 -178.229 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.6 mtt -68.66 -8.49 42.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -168.485 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.07 -14.64 49.96 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.743 1.217 . . . . 0.0 113.853 173.402 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -82.14 107.17 14.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.062 0.945 . . . . 0.0 110.984 177.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -140.75 155.48 46.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.125 1.37 . . . . 0.0 112.183 -170.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.79 19.98 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.508 1.523 . . . . 0.0 114.111 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 -17.52 50.13 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.41 1.484 . . . . 0.0 113.303 -179.412 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.07 159.25 19.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.529 1.532 . . . . 0.0 111.911 177.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.81 -164.11 11.55 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.808 1.194 . . . . 0.0 114.432 -179.536 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -63.15 -18.02 63.0 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.025 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -117.04 130.54 56.74 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.642 1.577 . . . . 0.0 109.466 161.724 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mp -109.89 5.63 22.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.608 1.563 . . . . 0.0 113.748 -168.326 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.78 -28.47 6.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.431 1.491 . . . . 0.0 113.712 -174.154 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.87 172.16 12.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.24 1.016 . . . . 0.0 110.867 157.606 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -68.23 105.78 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.089 -1.007 . . . . 0.0 110.185 177.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.3 p -162.07 151.43 15.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.68 1.592 . . . . 0.0 111.359 -168.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -160.87 161.04 31.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.808 1.243 . . . . 0.0 112.397 -170.448 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.16 -2.18 43.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -179.275 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.1 p 64.53 153.77 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.788 2.835 . . . . 0.0 115.612 -173.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -80.57 156.39 26.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.452 1.101 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -134.1 155.28 50.34 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.602 1.561 . . . . 0.0 112.057 -169.221 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -101.48 7.33 42.49 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 129.67 3.188 . . . . 0.0 113.468 0.334 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -69.38 166.39 18.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.261 1.424 . . . . 0.0 113.322 178.64 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -142.33 161.99 36.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.469 1.507 . . . . 0.0 113.12 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.2 143.92 50.96 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.809 1.644 . . . . 0.0 110.069 169.097 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.83 153.25 80.96 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.436 1.494 . . . . 0.0 112.628 -177.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.94 -149.83 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.975 1 C-N-CA 125.341 4.027 . . . . 0.0 112.108 177.524 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -48.89 150.81 1.38 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.311 2.244 . . . . 0.0 115.723 -165.443 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.68 101.99 6.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.339 2.256 . . . . 0.0 109.895 -162.397 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -83.45 107.27 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.141 0.976 . . . . 0.0 108.641 174.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 162.48 13.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.81 1.244 . . . . 0.0 111.231 168.122 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -113.51 147.75 37.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.141 1.376 . . . . 0.0 110.529 171.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -138.65 142.47 39.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.149 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -110.03 125.06 52.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 111.002 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.22 178.82 7.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.329 1.451 . . . . 0.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.42 -16.34 61.83 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.272 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.12 3.15 55.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.164 0.893 . . . . 0.0 112.951 171.34 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.16 6.63 89.24 Favored Glycine 0 N--CA 1.47 0.939 0 C-N-CA 124.995 1.284 . . . . 0.0 114.634 -168.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.57 120.14 17.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.433 1.117 . . . . 0.0 108.385 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -102.46 131.71 48.95 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.106 0.562 . . . . 0.0 111.409 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -127.21 164.15 22.33 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.654 1.582 . . . . 0.0 111.831 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.28 136.5 50.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.413 1.085 . . . . 0.0 110.827 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.67 110.06 33.89 Favored Pre-proline 0 N--CA 1.471 0.589 0 C-N-CA 125.036 1.334 . . . . 0.0 110.118 179.5 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.0 119.4 5.07 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.514 2.81 . . . . 0.0 111.453 172.202 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -102.11 139.98 37.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.555 1.542 . . . . 0.0 111.155 172.231 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 163.61 24.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.578 0.751 . . . . 0.0 112.283 -176.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -50.56 -26.51 5.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.62 1.568 . . . . 0.0 113.961 172.677 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.24 -11.86 59.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.648 1.579 . . . . 0.0 113.917 178.135 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.43 158.7 33.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.782 1.633 . . . . 0.0 113.324 -173.277 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.75 149.14 52.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.183 1.393 . . . . 0.0 111.902 177.398 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.9 mm -65.04 110.16 3.84 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 128.727 2.811 . . . . 0.0 112.607 -170.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.98 150.45 48.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.654 2.902 . . . . 0.0 111.127 166.049 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.97 15.1 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.855 1.693 . . . . 0.0 115.494 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.0 p -139.94 159.43 42.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.123 0.969 . . . . 0.0 112.656 172.443 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.23 148.03 19.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.128 1.371 . . . . 0.0 112.326 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 125.45 26.67 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.794 -1.191 . . . . 0.0 111.94 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -89.53 165.19 14.44 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.498 1.119 . . . . 0.0 112.495 -179.052 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -67.74 -16.1 63.96 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.25 -17.04 63.72 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.161 1.384 . . . . 0.0 113.247 170.514 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.93 12.68 61.78 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.035 1.302 . . . . 0.0 113.696 -174.405 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.3 tpp -112.08 146.2 38.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.594 1.558 . . . . 0.0 110.937 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.32 110.03 3.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.664 0.785 . . . . 0.0 110.475 175.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.53 149.59 22.75 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.382 0.991 . . . . 0.0 113.053 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -107.31 140.63 39.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.91 0.884 . . . . 0.0 111.34 172.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.29 121.94 12.66 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.395 1.478 . . . . 0.0 113.142 -176.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.403 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -133.29 156.04 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.075 1.75 . . . . 0.0 112.127 177.468 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -102.28 150.2 23.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.506 1.122 . . . . 0.0 111.143 170.197 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.4 -20.33 60.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.117 0.865 . . . . 0.0 115.128 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -120.64 -159.95 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.053 2.141 . . . . 0.0 111.933 -172.449 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 144.3 55.25 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.443 1.497 . . . . 0.0 112.572 -174.481 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -76.68 -9.47 29.37 Favored 'Cis proline' 0 C--N 1.354 0.868 0 N-CA-C 116.735 1.783 . . . . 0.0 116.735 8.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -127.07 68.98 73.04 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.995 1.318 . . . . 0.0 112.224 -173.468 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.3 144.13 73.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.183 2.588 . . . . 0.0 112.718 -177.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -148.73 146.26 28.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -83.59 52.92 2.37 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.01 1.724 . . . . 0.0 112.758 -173.308 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.17 164.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.09 1.356 . . . . 0.0 112.442 178.487 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -105.27 134.64 19.57 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.327 1.451 . . . . 0.0 111.024 176.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.11 161.71 86.62 Favored 'Cis proline' 0 CA--C 1.55 1.293 0 CA-C-N 120.035 1.048 . . . . 0.0 112.377 -8.603 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -65.25 -15.7 51.29 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.394 2.729 . . . . 0.0 116.049 -174.28 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 126.202 1.801 . . . . 0.0 111.096 179.18 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.4 tpt -73.73 -32.93 64.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.813 0.845 . . . . 0.0 113.222 -177.094 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.57 31.57 12.72 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.887 1.675 . . . . 0.0 115.031 178.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.21 156.24 37.47 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.97 1.308 . . . . 0.0 113.694 178.312 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -120.03 160.28 23.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.904 3.682 . . . . 0.0 112.267 -0.597 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 156.84 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.209 1.804 . . . . 0.0 111.879 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.96 162.68 24.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.662 1.185 . . . . 0.0 112.111 175.016 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -127.24 147.73 50.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.945 1.698 . . . . 0.0 111.341 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.95 -9.1 70.42 Favored Glycine 0 CA--C 1.539 1.583 0 N-CA-C 115.915 1.126 . . . . 0.0 115.915 -176.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -148.11 149.87 32.83 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.336 1.454 . . . . 0.0 111.508 176.191 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -93.04 95.87 9.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.426 1.49 . . . . 0.0 110.164 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.1 142.62 47.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.614 0.765 . . . . 0.0 110.373 174.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.18 30.82 78.81 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 123.734 0.683 . . . . 0.0 114.427 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 137.81 58.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.485 1.114 . . . . 0.0 113.666 -173.61 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.71 153.84 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.938 2.095 . . . . 0.0 110.869 177.55 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.2 p -84.86 162.18 19.61 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.524 2.73 . . . . 0.0 113.672 -1.447 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -113.29 1.62 15.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.129 1.771 . . . . 0.0 113.945 -178.598 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 52.07 34.89 14.96 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.88 2.072 . . . . 0.0 114.484 173.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 58.67 24.09 11.75 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.487 1.515 . . . . 0.0 113.999 -177.567 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t0 62.15 163.8 0.09 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.334 2.254 . . . . 0.0 115.173 -176.381 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.02 147.92 49.48 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.933 1.293 . . . . 0.0 112.755 -175.659 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.96 157.3 35.18 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.119 1.368 . . . . 0.0 112.154 177.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -68.82 -37.49 79.24 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.598 -0.689 . . . . 0.0 111.652 168.074 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.6 -177.86 0.08 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.624 2.37 . . . . 0.0 116.315 166.2 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.24 69.98 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.7 1.2 . . . . 0.0 111.764 -172.438 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.72 141.66 25.12 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.402 1.881 . . . . 0.0 110.804 173.754 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -72.86 69.87 3.64 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.426 2.751 . . . . 0.0 113.393 177.33 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -141.1 164.27 30.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.95 1.7 . . . . 0.0 114.129 178.646 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.44 117.84 14.71 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.711 2.404 . . . . 0.0 110.181 -178.057 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 mm -88.63 110.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 124.266 1.026 . . . . 0.0 109.13 169.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.91 154.41 17.32 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.424 0.631 . . . . 0.0 110.367 162.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -108.19 151.53 25.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.086 0.954 . . . . 0.0 109.594 167.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.58 137.78 38.89 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.878 0.871 . . . . 0.0 111.002 173.711 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -104.18 125.43 50.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 110.965 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -77.91 176.71 8.85 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.786 1.234 . . . . 0.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.36 -12.13 59.99 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.339 -0.851 . . . . 0.0 112.463 -178.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.96 11.53 33.61 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.105 1.762 . . . . 0.0 111.711 175.067 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.77 0.55 89.51 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 126.427 1.965 . . . . 0.0 115.087 -178.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.83 120.1 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.261 0.624 . . . . 0.0 110.072 -167.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -102.42 130.46 49.2 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.706 0.765 . . . . 0.0 112.071 -177.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -129.95 160.21 34.29 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.379 1.471 . . . . 0.0 111.677 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.99 132.79 53.84 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.474 1.11 . . . . 0.0 110.723 -173.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 t -120.11 109.57 37.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.121 0.968 . . . . 0.0 109.123 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.16 128.33 10.51 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.027 2.484 . . . . 0.0 110.736 173.175 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -116.07 143.92 44.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.817 1.647 . . . . 0.0 110.807 175.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 159.82 19.25 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.246 -0.909 . . . . 0.0 111.024 173.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.73 -20.0 60.21 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.579 1.151 . . . . 0.0 113.523 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -13.76 61.74 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.834 1.254 . . . . 0.0 113.356 172.276 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.41 162.67 17.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.739 2.016 . . . . 0.0 112.456 178.795 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.32 139.43 48.18 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.863 1.265 . . . . 0.0 111.362 173.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -59.14 110.2 2.49 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 128.244 2.617 . . . . 0.0 111.932 -174.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.4 149.93 51.35 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.376 2.717 . . . . 0.0 110.941 168.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -30.01 15.67 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.681 1.61 . . . . 0.0 115.589 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -139.92 160.4 40.0 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.235 1.017 . . . . 0.0 112.369 171.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -157.52 148.09 21.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.135 1.374 . . . . 0.0 112.368 -178.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 125.89 27.79 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.875 -1.141 . . . . 0.0 111.736 -178.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.7 m -94.38 165.57 12.5 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.886 1.275 . . . . 0.0 113.113 -178.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -66.47 -20.01 65.94 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -69.08 -17.11 63.83 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.632 0.773 . . . . 0.0 112.895 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.65 13.91 54.18 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.633 1.587 . . . . 0.0 114.012 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 tpt -110.74 148.54 32.1 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.894 1.678 . . . . 0.0 110.855 175.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.58 110.06 3.53 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.608 -0.682 . . . . 0.0 109.833 171.459 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.51 26.53 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.598 1.094 . . . . 0.0 112.305 176.095 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.1 m -106.25 138.2 42.85 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.93 -0.747 . . . . 0.0 111.867 174.094 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.61 124.62 17.95 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.624 1.57 . . . . 0.0 115.025 -175.297 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.01 156.12 41.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 127.708 2.403 . . . . 0.0 109.754 167.226 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.03 113.11 2.15 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.212 -0.93 . . . . 0.0 113.173 -173.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.85 65.11 1.49 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 126.102 1.81 . . . . 0.0 112.814 172.406 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.89 92.17 5.48 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.479 1.511 . . . . 0.0 111.083 -175.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.19 161.58 47.77 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.389 1.476 . . . . 0.0 113.2 -178.218 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -118.36 80.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.554 1.508 0 C-N-CA 123.842 3.028 . . . . 0.0 114.67 -166.123 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -139.4 59.83 15.37 Favored Pre-proline 0 CA--C 1.559 1.306 0 O-C-N 116.61 -3.806 . . . . 0.0 111.743 3.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -69.92 148.82 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.102 2.534 . . . . 0.0 111.834 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -145.58 142.58 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.13 1.372 . . . . 0.0 111.739 -176.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.9 152.2 21.57 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 110.842 174.293 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.1 t -84.31 66.71 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.545 1.138 . . . . 0.0 110.65 -175.629 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -137.34 145.99 52.03 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.814 1.646 . . . . 0.0 111.528 179.095 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.68 157.04 48.72 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.286 2.657 . . . . 0.0 112.391 176.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.03 154.71 66.4 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.385 2.723 . . . . 0.0 111.937 173.381 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 . . . . . 0 C--O 1.25 1.121 0 C-N-CA 130.167 3.387 . . . . 0.0 110.451 -1.72 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.354 0.121 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 ttt -141.33 55.36 1.53 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.313 1.445 . . . . 0.0 110.926 175.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.66 65.9 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.086 -1.009 . . . . 0.0 113.499 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -71.4 -15.44 62.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 113.996 171.291 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 61.12 169.26 0.1 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.434 2.694 . . . . 0.0 116.264 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.2 t -87.43 153.2 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.056 1.743 . . . . 0.0 108.294 175.123 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.07 96.34 9.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.156 1.382 . . . . 0.0 110.529 173.16 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -121.5 111.94 17.88 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 129.955 3.302 . . . . 0.0 110.395 -2.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.35 -153.41 24.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.839 1.209 . . . . 0.0 113.444 -177.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.9 p -143.19 169.2 18.05 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.023 1.329 . . . . 0.0 112.364 176.866 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.44 0.51 56.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.154 1.382 . . . . 0.0 113.977 178.78 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.47 131.24 46.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.952 0.901 . . . . 0.0 112.126 -172.245 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.85 13.26 66.07 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 124.564 1.078 . . . . 0.0 115.589 179.739 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.63 177.28 8.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.239 1.416 . . . . 0.0 113.045 -172.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.1 161.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.052 0.941 . . . . 0.0 111.9 165.6 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -68.53 141.79 55.43 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.071 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -134.18 155.26 50.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.486 1.914 . . . . 0.0 112.622 -172.409 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.62 -34.13 77.51 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 130.848 3.659 . . . . 0.0 115.573 15.72 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -148.47 161.59 41.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.155 2.182 . . . . 0.0 111.174 167.801 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -149.58 149.98 31.52 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.134 1.374 . . . . 0.0 111.226 176.479 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -121.85 11.66 10.42 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -175.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -126.33 -18.42 4.92 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.371 1.468 . . . . 0.0 114.104 -179.254 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.77 121.16 14.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.354 1.061 . . . . 0.0 110.82 170.544 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -157.49 172.89 17.76 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.349 1.46 . . . . 0.0 111.953 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -114.27 146.68 40.14 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.387 1.475 . . . . 0.0 111.207 170.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.39 162.57 41.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.691 1.596 . . . . 0.0 111.802 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.98 120.85 8.96 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.14 3.226 . . . . 0.0 112.269 177.242 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -141.16 167.1 23.0 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 114.941 -172.271 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 101.96 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.474 2.709 . . . . 0.0 109.408 -173.818 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.38 108.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 155.3 16.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.229 1.012 . . . . 0.0 110.436 164.494 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -105.61 151.73 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.978 0.911 . . . . 0.0 110.489 168.688 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.3 137.76 37.74 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.299 1.039 . . . . 0.0 111.445 173.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -104.82 124.09 48.83 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.819 1.647 . . . . 0.0 111.259 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.77 177.89 7.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.09 1.356 . . . . 0.0 111.697 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.17 -16.03 61.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.77 2.54 55.94 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.232 0.924 . . . . 0.0 112.899 171.434 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.04 88.68 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 125.14 1.352 . . . . 0.0 114.753 -169.272 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.87 120.05 18.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.515 1.157 . . . . 0.0 108.841 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -102.42 132.24 48.56 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.479 0.656 . . . . 0.0 112.35 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.07 160.9 32.3 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -109.96 133.28 53.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.721 1.208 . . . . 0.0 110.998 -176.611 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 t -121.12 109.84 35.04 Favored Pre-proline 0 N--CA 1.47 0.526 0 C-N-CA 124.376 1.071 . . . . 0.0 109.456 178.278 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.5 118.42 3.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.218 2.612 . . . . 0.0 111.13 173.305 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -101.39 141.38 34.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.888 1.675 . . . . 0.0 111.271 174.307 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.74 26.51 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.375 -0.828 . . . . 0.0 111.028 174.505 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.34 -19.97 50.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.823 1.249 . . . . 0.0 113.749 178.856 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.08 -12.57 61.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.872 1.269 . . . . 0.0 113.369 172.321 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.83 160.84 23.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.812 2.045 . . . . 0.0 112.665 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.08 141.04 50.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.06 1.344 . . . . 0.0 111.304 174.01 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -57.3 110.07 2.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 128.205 2.602 . . . . 0.0 111.677 -173.723 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.66 150.05 49.99 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.325 2.683 . . . . 0.0 110.689 168.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.95 -29.91 14.96 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.552 -179.184 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -140.33 159.76 41.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.295 1.048 . . . . 0.0 112.329 171.343 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -156.97 148.0 21.87 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.294 1.438 . . . . 0.0 112.058 -179.02 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 125.12 25.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.976 -1.078 . . . . 0.0 111.636 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.6 m -92.04 165.08 13.37 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.486 1.115 . . . . 0.0 112.736 -178.689 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -64.77 -19.47 65.83 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.06 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -67.74 -17.03 64.41 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.896 1.278 . . . . 0.0 113.0 172.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.86 13.44 60.84 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.243 1.402 . . . . 0.0 113.758 -174.725 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -113.29 147.48 37.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.708 1.603 . . . . 0.0 111.158 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.71 109.97 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.654 0.782 . . . . 0.0 110.301 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.12 149.39 22.98 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.422 1.01 . . . . 0.0 112.81 176.568 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.9 m -109.09 137.89 46.29 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.941 0.897 . . . . 0.0 112.022 174.778 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 122.81 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.188 1.795 . . . . 0.0 111.769 -171.033 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.84 154.9 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.83 1.652 . . . . 0.0 111.301 169.435 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -74.34 95.94 2.76 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.222 1.009 . . . . 0.0 112.222 -178.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.96 44.91 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.033 0.825 . . . . 0.0 113.846 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -159.73 143.89 14.75 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.221 2.209 . . . . 0.0 109.045 176.405 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.42 129.05 25.54 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 125.139 1.376 . . . . 0.0 111.071 176.545 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.37 -35.51 2.85 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.137 1.892 . . . . 0.0 111.575 165.325 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -141.26 79.94 17.2 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 111.842 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.94 140.76 12.91 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.034 3.156 . . . . 0.0 114.825 168.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -121.05 23.62 10.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.086 1.754 . . . . 0.0 112.619 179.394 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -59.58 113.49 2.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.487 1.115 . . . . 0.0 110.487 -175.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.297 21.0 m 47.44 30.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.471 2.308 . . . . 0.0 115.641 -171.824 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -102.0 145.43 30.48 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 125.399 1.48 . . . . 0.0 112.457 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.37 168.96 21.99 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 123.959 3.106 . . . . 0.0 113.126 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -63.53 -26.36 69.92 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.512 2.808 . . . . 0.0 114.748 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.46 1.904 . . . . 0.0 111.322 179.751 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.3 ttp -70.42 -48.96 53.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.835 0.854 . . . . 0.0 112.253 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.11 159.45 26.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.644 2.377 . . . . 0.0 108.809 169.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.76 159.54 10.84 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 130.941 3.696 . . . . 0.0 114.482 -0.131 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -126.56 76.06 1.6 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.178 1.791 . . . . 0.0 110.783 176.533 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t 55.24 68.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 126.893 2.077 . . . . 0.0 112.622 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.8 mt 56.42 60.62 3.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.447 2.299 . . . . 0.0 114.004 173.055 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -62.86 124.97 22.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.918 0.887 . . . . 0.0 112.124 172.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.37 151.13 16.68 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 129.996 3.665 . . . . 0.0 112.563 -8.395 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -87.0 -14.36 41.84 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.923 1.289 . . . . 0.0 114.434 -177.335 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.12 132.86 50.28 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.329 1.452 . . . . 0.0 111.063 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.82 159.6 41.36 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.64 1.976 . . . . 0.0 110.453 170.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.3 -3.3 24.06 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.328 1.291 . . . . 0.0 116.328 175.786 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.12 151.55 33.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.258 1.823 . . . . 0.0 110.638 177.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.13 144.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.391 0.676 . . . . 0.0 112.179 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 p -92.52 3.17 56.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.948 2.899 . . . . 0.0 114.792 1.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.305 52.9 p90 46.49 -160.0 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.071 2.149 . . . . 0.0 115.077 -177.444 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.31 19.0 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -173.478 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -70.41 158.0 36.79 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.704 -1.247 . . . . 0.0 113.101 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.85 144.5 39.26 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.513 1.125 . . . . 0.0 110.813 169.077 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -89.1 -21.74 23.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.5 1.12 . . . . 0.0 113.892 -176.357 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -112.74 -40.43 4.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.07 1.348 . . . . 0.0 112.655 -175.62 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -91.49 161.37 15.0 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.326 1.451 . . . . 0.0 112.567 -174.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -131.69 156.78 45.29 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.524 1.53 . . . . 0.0 111.543 175.653 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.85 149.03 50.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.526 1.53 . . . . 0.0 111.354 177.666 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.2 162.66 41.78 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 125.879 1.672 . . . . 0.0 111.391 178.205 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.14 141.01 86.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.483 2.789 . . . . 0.0 112.021 177.546 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -141.08 166.81 23.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -173.41 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 102.54 5.58 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.436 2.694 . . . . 0.0 109.238 -174.342 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.64 107.85 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.465 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.54 14.28 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.544 1.138 . . . . 0.0 110.745 166.023 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -113.02 151.17 30.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.744 1.218 . . . . 0.0 110.855 172.176 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -141.23 142.1 33.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.322 1.049 . . . . 0.0 111.689 175.76 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -109.97 124.26 51.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.973 2.109 . . . . 0.0 110.813 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -80.96 179.03 8.04 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.11 1.364 . . . . 0.0 111.633 -177.302 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.81 -16.4 62.17 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.658 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.38 3.09 55.76 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.162 0.892 . . . . 0.0 112.814 170.867 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 8.8 87.22 Favored Glycine 0 N--CA 1.469 0.899 0 C-N-CA 125.058 1.313 . . . . 0.0 114.884 -168.768 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.37 120.0 19.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.564 1.182 . . . . 0.0 108.666 -179.338 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.56 129.95 49.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.749 0.819 . . . . 0.0 112.078 -177.381 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -128.97 162.7 26.99 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.468 1.507 . . . . 0.0 112.045 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mp0 -109.92 133.95 52.62 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.682 1.193 . . . . 0.0 111.144 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.19 110.09 34.73 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.674 1.19 . . . . 0.0 109.892 178.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.91 120.12 4.96 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.53 2.82 . . . . 0.0 111.739 172.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -103.0 141.93 34.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.262 1.825 . . . . 0.0 111.554 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.56 158.68 25.69 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.403 -0.811 . . . . 0.0 111.241 175.33 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.65 -19.95 52.78 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.844 1.258 . . . . 0.0 113.758 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.98 -13.4 61.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.817 1.247 . . . . 0.0 113.353 172.281 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.83 161.79 20.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.717 2.007 . . . . 0.0 112.824 -178.302 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.13 143.14 50.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.16 1.384 . . . . 0.0 111.334 173.069 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.44 110.17 2.67 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 128.142 2.577 . . . . 0.0 111.488 -172.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -69.59 152.75 70.22 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.354 2.703 . . . . 0.0 111.024 168.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.86 15.66 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.802 1.191 . . . . 0.0 115.193 177.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 p -142.12 159.79 41.53 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.255 1.028 . . . . 0.0 112.886 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -157.93 148.03 20.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.227 1.411 . . . . 0.0 112.514 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 125.16 25.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.856 -1.153 . . . . 0.0 111.808 -179.694 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.97 165.73 13.06 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 -177.594 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -64.28 -20.31 65.98 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.042 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.17 -17.16 64.72 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.806 1.242 . . . . 0.0 113.123 173.254 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 14.48 59.13 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.194 1.378 . . . . 0.0 113.581 -174.493 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -115.07 147.54 40.04 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 111.325 178.047 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.47 110.01 3.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 110.431 174.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 148.67 21.14 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.487 1.041 . . . . 0.0 112.94 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.9 m -108.29 138.53 44.42 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.032 0.933 . . . . 0.0 111.758 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 120.97 10.68 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.666 1.586 . . . . 0.0 111.927 -172.439 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -133.3 156.03 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.606 1.962 . . . . 0.0 111.743 174.343 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -95.67 95.88 8.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.471 -0.768 . . . . 0.0 109.628 167.454 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.74 -20.19 62.06 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.071 0.788 . . . . 0.0 115.071 -175.289 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -150.08 149.39 30.24 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.517 2.327 . . . . 0.0 108.252 172.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.75 148.23 92.34 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.427 1.091 . . . . 0.0 110.972 174.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.34 43.37 1.51 Allowed 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 124.686 3.591 . . . . 0.0 112.679 -177.373 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 37.63 64.21 3.12 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 127.889 2.475 . . . . 0.0 114.368 -171.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 142.47 97.58 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.258 2.639 . . . . 0.0 114.168 -175.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -136.62 28.55 2.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 114.087 -175.775 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 53.43 52.95 12.43 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.604 1.961 . . . . 0.0 112.98 -178.371 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.76 158.89 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.913 1.285 . . . . 0.0 112.666 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.55 136.17 96.59 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.335 1.054 . . . . 0.0 110.905 175.44 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -60.72 152.44 69.42 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 122.967 2.445 . . . . 0.0 113.761 177.362 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 160.78 48.38 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 123.633 2.889 . . . . 0.0 112.663 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.4 mtp-105 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 128.418 2.687 . . . . 0.0 112.02 -1.736 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.473 0.178 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -68.64 -30.68 69.45 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.708 2.403 . . . . 0.0 112.854 -1.781 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.82 144.45 25.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.381 1.072 . . . . 0.0 110.584 161.795 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -107.35 -8.65 16.26 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 179.426 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 52.74 27.19 5.06 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 126.692 1.997 . . . . 0.0 115.532 166.623 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 51.72 35.2 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 125.986 1.714 . . . . 0.0 112.043 -172.891 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 mt 57.17 25.78 11.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.931 2.092 . . . . 0.0 114.953 -179.23 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -136.96 160.06 40.02 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.672 1.589 . . . . 0.0 112.963 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.87 166.76 28.48 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.289 0.947 . . . . 0.0 113.586 178.314 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 m -58.53 123.96 18.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.184 0.993 . . . . 0.0 111.533 179.704 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.271 16.1 ptm180 46.48 27.91 0.68 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.322 2.249 . . . . 0.0 116.006 -174.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.3 tp -74.21 -25.26 59.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.289 1.036 . . . . 0.0 113.133 -178.577 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.49 -146.12 36.83 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.979 0.8 . . . . 0.0 112.615 -173.372 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.16 161.54 35.44 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.104 1.361 . . . . 0.0 112.284 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.257 3.0 t 52.43 58.49 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.131 1.772 . . . . 0.0 113.072 179.251 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 p -86.98 13.9 8.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.463 1.905 . . . . 0.0 112.808 159.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -145.68 162.69 36.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.769 2.428 . . . . 0.0 111.358 -165.515 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.94 99.61 12.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.028 0.931 . . . . 0.0 110.935 178.711 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -79.16 42.62 0.49 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.632 1.573 . . . . 0.0 112.921 -176.547 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -129.95 113.16 14.26 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.499 1.519 . . . . 0.0 112.214 -177.481 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.27 164.48 8.8 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 130.217 3.407 . . . . 0.0 112.679 -6.106 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -59.99 144.84 48.19 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.179 0.992 . . . . 0.0 113.003 -177.374 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -78.82 -35.23 44.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.916 0.886 . . . . 0.0 112.899 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.2 173.07 14.86 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.362 1.465 . . . . 0.0 111.7 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -111.19 140.83 45.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.928 1.691 . . . . 0.0 111.187 173.249 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.18 161.68 28.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 125.556 1.542 . . . . 0.0 111.16 -179.562 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.42 89.65 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.455 2.77 . . . . 0.0 110.511 171.305 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -141.01 167.07 23.06 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.583 1.553 . . . . 0.0 114.224 -172.201 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.77 106.5 5.9 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 128.045 2.538 . . . . 0.0 109.717 -177.897 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.39 109.91 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 121.035 -1.041 . . . . 0.0 108.739 172.439 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 159.8 14.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.177 0.991 . . . . 0.0 110.991 166.493 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -111.91 149.35 32.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.869 1.268 . . . . 0.0 110.423 171.155 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -139.18 142.94 37.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.312 1.045 . . . . 0.0 110.911 176.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.9 125.8 53.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.319 1.847 . . . . 0.0 111.14 -178.379 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.2 p -79.45 177.89 8.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.821 1.248 . . . . 0.0 111.556 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.44 -15.97 61.82 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.164 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 1.81 55.39 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.138 0.881 . . . . 0.0 112.832 170.773 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.79 7.55 87.88 Favored Glycine 0 N--CA 1.469 0.863 0 C-N-CA 125.025 1.298 . . . . 0.0 114.644 -168.49 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.87 120.07 18.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.737 1.268 . . . . 0.0 108.787 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -102.51 129.92 49.19 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.479 0.712 . . . . 0.0 111.511 -176.558 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -126.8 162.72 25.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.991 1.716 . . . . 0.0 111.509 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.96 138.53 46.21 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.228 1.011 . . . . 0.0 110.684 177.337 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.1 t -123.53 110.04 30.44 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.725 1.21 . . . . 0.0 110.203 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.88 123.55 6.89 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.483 2.789 . . . . 0.0 111.703 173.067 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -108.46 143.3 37.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.393 1.877 . . . . 0.0 111.181 173.873 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 159.27 20.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.915 172.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.41 -19.89 57.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.49 1.116 . . . . 0.0 113.677 178.822 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -12.42 61.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.797 1.239 . . . . 0.0 113.288 172.206 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.62 162.54 18.22 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.837 2.055 . . . . 0.0 112.407 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -132.3 140.68 48.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.944 1.297 . . . . 0.0 111.259 173.667 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.1 mm -58.91 110.22 2.48 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 128.044 2.538 . . . . 0.0 111.79 -174.074 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.36 153.05 66.49 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.36 2.707 . . . . 0.0 111.184 168.037 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.94 15.62 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.893 1.235 . . . . 0.0 115.109 175.836 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.2 p -142.19 159.75 41.61 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.299 1.049 . . . . 0.0 113.276 174.247 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -157.02 147.91 21.72 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.914 1.286 . . . . 0.0 112.642 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 124.79 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.039 -1.038 . . . . 0.0 111.566 -178.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.24 163.5 13.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.741 1.216 . . . . 0.0 112.911 -177.571 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -69.1 -12.26 61.52 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -174.561 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.24 -17.12 64.22 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.199 1.0 . . . . 0.0 112.759 167.51 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.91 14.21 58.18 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.436 1.493 . . . . 0.0 113.743 -174.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -115.63 148.8 39.23 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 177.563 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -62.84 110.08 1.65 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.038 0.935 . . . . 0.0 110.285 171.14 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.46 146.74 21.03 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.205 0.907 . . . . 0.0 112.1 173.716 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.1 m -105.16 140.2 38.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.753 -0.851 . . . . 0.0 111.42 172.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.72 122.22 13.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.364 1.466 . . . . 0.0 112.22 -178.278 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -128.68 154.44 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.399 1.48 . . . . 0.0 112.331 178.43 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -134.43 133.36 40.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.315 1.446 . . . . 0.0 110.441 173.697 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.1 -32.35 0.11 Allowed Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.363 0.982 . . . . 0.0 113.579 174.537 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -141.32 128.96 21.49 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.64 1.976 . . . . 0.0 107.372 166.458 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -130.12 153.83 81.19 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.096 1.359 . . . . 0.0 112.044 -175.468 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.27 67.57 6.94 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 124.342 3.361 . . . . 0.0 112.109 -179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 42.07 59.82 9.62 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 128.895 2.878 . . . . 0.0 115.922 178.538 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -90.85 59.66 1.3 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.455 2.103 . . . . 0.0 110.149 169.546 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -169.84 161.93 9.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.038 2.135 . . . . 0.0 110.65 -176.561 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -64.44 176.51 1.07 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.309 1.044 . . . . 0.0 112.082 160.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.57 60.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.751 1.62 . . . . 0.0 113.408 -179.076 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -138.32 142.58 35.59 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 127.317 2.247 . . . . 0.0 109.614 -177.186 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -49.81 139.11 32.94 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.4 2.734 . . . . 0.0 114.259 -175.676 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -82.21 7.06 44.89 Favored 'Cis proline' 0 CA--C 1.546 1.075 0 N-CA-C 115.149 1.173 . . . . 0.0 115.149 8.465 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? . . . . . 0 C--O 1.252 1.184 0 C-N-CA 125.952 1.701 . . . . 0.0 112.334 176.922 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -127.52 -43.42 1.59 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.958 1.303 . . . . 0.0 113.762 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.42 -5.57 2.29 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 -170.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -78.51 -25.15 45.53 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 116.343 -3.973 . . . . 0.0 114.267 7.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -137.89 154.55 49.44 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.049 1.34 . . . . 0.0 113.8 -173.716 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t 52.48 23.5 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 127.272 2.229 . . . . 0.0 114.206 175.311 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt 56.5 6.72 0.3 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 127.078 2.151 . . . . 0.0 115.61 -168.36 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -141.38 39.88 1.74 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 127.042 2.137 . . . . 0.0 111.861 -170.234 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.32 0.4 85.49 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.906 1.241 . . . . 0.0 115.471 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -68.56 154.65 41.48 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.556 1.142 . . . . 0.0 113.387 -177.041 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.63 -15.85 61.25 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.782 171.092 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.63 141.85 54.14 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.26 1.424 . . . . 0.0 112.037 176.771 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.98 42.12 1.11 Allowed Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.822 1.677 . . . . 0.0 115.286 179.292 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.28 52.53 1.13 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.287 1.835 . . . . 0.0 112.842 -177.329 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.07 155.13 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.445 1.498 . . . . 0.0 112.602 -177.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -138.9 31.51 2.22 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.718 1.207 . . . . 0.0 112.909 -176.562 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -156.26 168.18 28.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.386 1.874 . . . . 0.0 111.175 -171.303 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.92 103.85 2.35 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.934 0.894 . . . . 0.0 111.388 -179.774 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -155.14 168.35 27.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.641 . . . . 0.0 111.248 178.219 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -144.22 153.59 42.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.165 1.386 . . . . 0.0 111.596 175.639 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -137.5 -19.59 1.22 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.418 1.487 . . . . 0.0 114.837 -168.08 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -134.01 145.34 49.37 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.37 1.068 . . . . 0.0 112.322 -173.719 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 m170 55.15 -169.95 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.46 1.504 . . . . 0.0 112.916 -165.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.66 156.76 36.13 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.029 -1.044 . . . . 0.0 112.274 169.505 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.22 102.35 5.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.671 0.788 . . . . 0.0 110.962 -173.34 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.2 153.13 30.68 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.381 1.472 . . . . 0.0 111.78 178.251 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -69.51 128.09 15.75 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.32 2.68 . . . . 0.0 111.667 177.619 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -141.02 164.97 28.84 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.125 1.77 . . . . 0.0 113.76 177.649 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.49 101.95 6.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 127.446 2.298 . . . . 0.0 109.736 -172.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.76 107.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.327 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.96 13.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.321 1.048 . . . . 0.0 109.978 167.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -116.97 155.77 28.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.875 0.87 . . . . 0.0 110.172 168.108 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.106 0.962 . . . . 0.0 111.779 176.282 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -104.39 124.0 48.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.873 1.669 . . . . 0.0 111.753 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -77.36 177.79 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.29 1.436 . . . . 0.0 111.783 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.74 -16.23 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.683 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.82 1.5 55.17 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.082 0.856 . . . . 0.0 112.687 171.303 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.58 7.29 87.66 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.126 1.346 . . . . 0.0 114.723 -168.661 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.91 119.18 18.73 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.814 1.307 . . . . 0.0 108.627 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -102.56 130.89 49.55 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.555 0.742 . . . . 0.0 112.002 -177.785 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.0 163.29 26.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.568 1.547 . . . . 0.0 112.087 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.97 134.3 52.25 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.441 1.496 . . . . 0.0 110.108 -175.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.62 110.08 30.23 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 124.383 1.073 . . . . 0.0 109.798 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.32 124.67 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.647 2.898 . . . . 0.0 111.757 173.425 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -111.02 140.31 45.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.163 1.785 . . . . 0.0 111.96 176.247 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.32 160.94 25.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 0.0 111.547 175.052 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.91 -19.83 53.89 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.756 1.222 . . . . 0.0 113.747 178.875 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.03 -12.58 61.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.922 1.289 . . . . 0.0 113.211 173.003 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.53 159.86 29.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.487 1.915 . . . . 0.0 112.688 -179.188 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -132.0 136.97 47.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.143 1.377 . . . . 0.0 110.747 176.139 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.35 110.02 1.97 Allowed Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 127.502 2.321 . . . . 0.0 111.626 -171.348 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.3 149.28 56.87 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.213 2.608 . . . . 0.0 110.765 170.627 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.62 -29.94 12.86 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.615 1.579 . . . . 0.0 115.364 -179.359 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.9 p -139.99 159.74 41.49 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.216 1.008 . . . . 0.0 112.288 170.468 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.92 148.06 22.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.538 1.535 . . . . 0.0 112.097 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.71 123.98 22.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.913 -1.117 . . . . 0.0 111.73 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.07 166.46 13.41 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.64 1.176 . . . . 0.0 112.849 -178.266 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -67.93 -17.17 64.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.237 1.015 . . . . 0.0 113.707 -175.297 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.05 -17.1 63.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.091 1.356 . . . . 0.0 113.33 169.868 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.95 16.37 56.27 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.125 1.345 . . . . 0.0 113.89 -175.332 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -116.51 149.14 40.05 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.141 1.377 . . . . 0.0 111.369 176.515 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.84 110.01 3.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.604 0.762 . . . . 0.0 110.549 174.211 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.9 150.36 22.97 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.69 1.138 . . . . 0.0 112.921 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.2 m -108.71 137.81 46.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.837 0.855 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 121.65 12.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.333 1.853 . . . . 0.0 112.041 -169.708 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.87 156.06 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.443 1.897 . . . . 0.0 110.236 167.1 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.01 129.07 38.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.161 -0.962 . . . . 0.0 113.16 -178.395 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.31 -70.18 0.21 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.204 1.383 . . . . 0.0 112.977 167.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -144.21 33.61 1.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.818 1.247 . . . . 0.0 112.463 -169.341 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.49 130.65 94.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.725 1.21 . . . . 0.0 111.445 -175.734 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -80.54 41.25 1.1 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.166 3.244 . . . . 0.0 111.595 171.089 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 39.39 59.91 6.11 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 127.877 2.471 . . . . 0.0 114.348 -170.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.21 157.08 50.73 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.165 2.577 . . . . 0.0 112.38 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.8 130.74 44.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.21 1.004 . . . . 0.0 110.993 175.267 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -146.74 39.83 1.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.459 1.104 . . . . 0.0 113.265 174.654 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.13 155.64 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 127.464 2.306 . . . . 0.0 109.613 175.617 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 49.89 73.19 1.03 Allowed Pre-proline 0 N--CA 1.482 1.142 0 C-N-CA 125.616 1.566 . . . . 0.0 114.354 173.138 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -75.66 156.64 99.12 Favored 'Cis proline' 0 CA--C 1.544 1.012 0 CA-C-N 119.883 0.994 . . . . 0.0 114.473 4.756 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -63.54 147.31 93.14 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.306 2.671 . . . . 0.0 112.064 174.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.157 1.783 . . . . 0.0 111.93 -169.281 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.3 ttp -148.86 -44.75 0.15 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.181 . . . . 0.0 113.43 179.491 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.65 20.66 2.52 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.09 1.356 . . . . 0.0 112.903 -175.429 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.53 -29.73 61.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.243 1.417 . . . . 0.0 113.791 -164.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 58.54 168.03 0.05 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.743 2.417 . . . . 0.0 115.119 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.3 15.9 m 50.01 26.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 128.061 2.544 . . . . 0.0 116.245 179.443 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.39 139.98 54.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.476 1.11 . . . . 0.0 111.734 -178.226 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -151.48 159.37 44.2 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.494 1.518 . . . . 0.0 112.589 -175.864 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.79 44.0 2.24 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.548 1.546 . . . . 0.0 114.357 176.299 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t -150.81 177.18 10.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.828 1.651 . . . . 0.0 111.744 -176.251 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -75.49 74.44 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.16 1.784 . . . . 0.0 111.563 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.89 149.2 47.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.209 1.804 . . . . 0.0 112.329 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.89 -158.75 39.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.657 1.122 . . . . 0.0 113.781 -178.653 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 149.62 48.43 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.926 0.89 . . . . 0.0 112.548 178.347 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.75 155.31 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.24 1.416 . . . . 0.0 113.027 -174.442 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.55 142.29 26.73 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.869 1.668 . . . . 0.0 109.909 170.899 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -153.5 -39.99 0.1 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -172.669 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.29 -43.42 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.271 2.228 . . . . 0.0 110.981 174.302 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m 54.07 86.78 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.204 2.602 . . . . 0.0 114.213 156.467 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.14 149.89 49.03 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.46 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -123.31 3.48 9.16 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 130.227 3.411 . . . . 0.0 115.831 8.562 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -144.54 -49.24 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -134.14 157.77 45.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 131.552 3.941 . . . . 0.0 111.104 -1.59 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.47 149.27 26.75 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.124 0.97 . . . . 0.0 112.754 174.7 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.6 mt -97.77 70.01 2.16 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.32 1.048 . . . . 0.0 111.771 -171.731 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.24 134.74 10.03 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.727 1.611 . . . . 0.0 111.418 177.833 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -71.1 72.72 2.09 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.127 3.218 . . . . 0.0 112.969 172.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -141.08 166.32 25.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.213 1.561 . . . . 0.0 115.213 -177.335 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.44 102.53 4.98 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.511 2.724 . . . . 0.0 109.398 -174.043 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.37 108.44 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 173.464 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 160.02 14.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.645 1.178 . . . . 0.0 110.784 167.511 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.02 150.85 28.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.593 1.157 . . . . 0.0 110.698 170.785 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.51 142.64 37.26 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.443 1.097 . . . . 0.0 111.252 174.647 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -110.11 126.84 54.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 111.047 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.9 p -79.32 176.79 9.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 111.495 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -78.42 -11.61 59.96 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.47 -0.768 . . . . 0.0 112.468 -178.512 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -97.78 11.94 35.54 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.354 1.862 . . . . 0.0 111.631 175.897 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.38 1.17 89.96 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 126.388 1.947 . . . . 0.0 115.051 -178.159 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -84.81 120.1 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.584 0.692 . . . . 0.0 110.141 -167.216 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -102.46 129.0 48.83 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.387 0.675 . . . . 0.0 111.496 -174.81 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.98 162.67 28.14 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.575 1.55 . . . . 0.0 112.248 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -110.0 136.67 48.9 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.727 1.211 . . . . 0.0 112.081 -177.15 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.77 110.02 22.47 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.673 1.189 . . . . 0.0 110.669 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -73.9 126.22 10.5 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.933 3.089 . . . . 0.0 111.887 169.691 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.18 142.9 41.08 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.588 1.955 . . . . 0.0 111.315 171.81 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 158.01 22.11 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.414 -0.803 . . . . 0.0 111.375 175.576 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.01 -19.93 55.11 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.125 1.37 . . . . 0.0 113.825 -176.509 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.82 -12.28 60.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.84 160.5 16.7 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.91 2.084 . . . . 0.0 112.224 175.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.84 141.61 49.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.726 1.21 . . . . 0.0 111.104 172.542 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.89 110.12 2.19 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 127.889 2.475 . . . . 0.0 111.28 -173.741 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.59 150.14 56.58 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.318 2.679 . . . . 0.0 110.499 169.532 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.92 15.43 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.378 1.466 . . . . 0.0 115.229 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.96 159.6 41.81 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.196 0.998 . . . . 0.0 112.544 171.9 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.6 t-105 -157.13 148.04 21.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.393 1.477 . . . . 0.0 112.272 -179.562 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 125.33 26.1 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.869 -1.145 . . . . 0.0 111.815 -178.834 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.9 m -94.34 165.89 12.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.608 1.163 . . . . 0.0 113.013 -178.096 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -66.23 -18.89 65.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.325 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -68.69 -17.13 64.02 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.614 0.766 . . . . 0.0 112.825 171.701 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 13.99 57.99 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.478 1.513 . . . . 0.0 114.092 -176.592 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 tpp -110.86 144.77 39.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.374 1.869 . . . . 0.0 110.304 175.665 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -61.8 110.07 1.42 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.872 0.844 . . . . 0.0 110.965 169.111 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.05 148.75 23.48 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.656 1.122 . . . . 0.0 112.332 175.164 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.4 m -106.08 139.06 41.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 111.382 173.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 121.68 12.43 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.602 1.561 . . . . 0.0 111.062 -174.939 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.449 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -130.23 156.0 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.745 1.618 . . . . 0.0 112.025 175.897 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -86.44 152.81 22.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.744 0.818 . . . . 0.0 111.241 167.263 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -10.82 60.27 Favored Glycine 0 CA--C 1.541 1.701 0 N-CA-C 115.776 1.07 . . . . 0.0 115.776 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 54.63 46.48 24.67 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.102 1.761 . . . . 0.0 114.407 174.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.25 149.35 97.94 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.225 1.01 . . . . 0.0 111.173 175.316 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -79.61 44.5 1.72 Allowed 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 124.785 3.657 . . . . 0.0 112.644 -178.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 35.07 60.0 2.44 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 128.15 2.58 . . . . 0.0 114.684 -172.331 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.68 144.81 55.66 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.231 2.621 . . . . 0.0 112.572 -176.492 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -86.43 -13.77 45.25 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -179.519 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.01 131.51 46.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.864 1.266 . . . . 0.0 111.804 -174.488 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.95 142.74 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.166 1.387 . . . . 0.0 112.465 173.659 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -131.73 59.97 48.65 Favored Pre-proline 0 N--CA 1.484 1.272 1 C-N-CA 132.059 4.144 . . . . 0.0 111.229 11.55 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.06 154.06 32.76 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.367 2.711 . . . . 0.0 113.313 -169.403 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -84.63 -18.0 4.87 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.903 3.069 . . . . 0.0 114.577 178.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.812 1.645 . . . . 0.0 112.142 -176.731 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mm -88.81 107.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.92 164.53 12.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.88 0.872 . . . . 0.0 111.291 170.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -116.27 152.95 32.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.986 1.314 . . . . 0.0 110.553 168.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -141.39 141.56 33.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.171 0.988 . . . . 0.0 111.646 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -108.06 122.99 48.01 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.11 1.764 . . . . 0.0 111.041 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -76.72 177.77 7.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.039 1.335 . . . . 0.0 111.668 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.45 -16.96 61.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.77 4.7 46.59 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.082 0.855 . . . . 0.0 112.515 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.27 2.16 90.54 Favored Glycine 0 N--CA 1.47 0.928 0 C-N-CA 124.777 1.18 . . . . 0.0 114.598 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.69 120.11 16.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.196 0.998 . . . . 0.0 108.868 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.39 134.16 46.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.384 0.611 . . . . 0.0 111.373 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 94.2 m-85 -129.03 163.75 24.72 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.343 1.457 . . . . 0.0 111.585 177.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 135.86 50.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.39 110.03 28.66 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 124.928 1.291 . . . . 0.0 110.408 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -70.92 130.04 17.29 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.231 3.287 . . . . 0.0 111.587 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -115.93 141.97 47.4 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.239 1.815 . . . . 0.0 111.0 171.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.9 162.55 20.47 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.264 -0.897 . . . . 0.0 111.758 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -59.51 -20.63 56.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.254 1.022 . . . . 0.0 113.587 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.01 -11.22 60.67 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.868 1.267 . . . . 0.0 113.478 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.79 171.55 12.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.663 1.985 . . . . 0.0 113.177 -174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.09 171.13 13.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.697 1.999 . . . . 0.0 111.382 171.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -88.7 110.02 34.12 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 127.424 2.29 . . . . 0.0 109.928 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.26 151.53 60.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.575 2.85 . . . . 0.0 110.673 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -29.91 15.51 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.58 1.562 . . . . 0.0 115.149 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.7 p -139.98 159.43 42.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.319 1.059 . . . . 0.0 112.47 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -157.68 148.03 20.74 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.635 1.574 . . . . 0.0 111.837 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.6 125.76 27.69 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.919 -1.113 . . . . 0.0 111.832 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.1 m -89.72 160.8 16.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.43 1.092 . . . . 0.0 112.215 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -66.41 -15.68 63.5 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.0 -17.12 64.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.87 1.268 . . . . 0.0 112.824 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.45 11.64 60.64 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.491 1.519 . . . . 0.0 113.646 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -114.47 147.31 39.52 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.541 1.136 . . . . 0.0 111.836 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.45 110.03 2.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.058 0.943 . . . . 0.0 111.16 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.52 148.94 20.83 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.639 1.114 . . . . 0.0 112.604 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.0 m -107.5 138.82 43.02 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.709 -0.877 . . . . 0.0 111.659 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.545 0.755 0 C-N-CA 125.596 1.559 . . . . 0.0 111.399 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.13 106.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 157.73 15.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.819 0.847 . . . . 0.0 110.634 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -112.72 149.73 32.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.631 1.172 . . . . 0.0 110.528 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.81 142.47 34.63 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.49 1.116 . . . . 0.0 111.559 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -109.86 125.83 53.19 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.317 1.847 . . . . 0.0 111.13 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -79.41 178.54 8.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.048 1.339 . . . . 0.0 111.841 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.59 -16.58 61.73 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.75 2.71 54.51 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.15 0.886 . . . . 0.0 112.8 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 7.49 88.32 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.064 1.316 . . . . 0.0 114.694 -168.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.02 119.98 18.98 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.601 1.2 . . . . 0.0 108.572 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -102.46 131.01 49.41 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.662 0.785 . . . . 0.0 111.587 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -130.03 163.78 25.75 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.443 1.497 . . . . 0.0 112.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -109.9 136.84 48.55 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.731 1.213 . . . . 0.0 111.917 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -125.51 110.02 25.98 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.403 1.481 . . . . 0.0 110.047 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.71 130.05 16.44 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.238 3.292 . . . . 0.0 111.97 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -116.9 144.04 44.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.437 1.895 . . . . 0.0 111.355 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.15 159.43 20.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.222 -0.923 . . . . 0.0 111.381 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.08 -19.95 62.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.26 -12.94 61.38 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.921 1.288 . . . . 0.0 113.433 171.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.5 172.88 7.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.13 2.172 . . . . 0.0 112.699 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -131.1 165.84 22.37 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.995 1.718 . . . . 0.0 110.766 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -87.2 110.03 30.17 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 127.374 2.27 . . . . 0.0 109.516 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.38 151.69 60.03 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.488 2.792 . . . . 0.0 110.512 168.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.8 15.56 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.392 1.472 . . . . 0.0 115.073 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.9 p -140.05 159.4 42.27 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.154 0.977 . . . . 0.0 112.579 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -157.75 148.09 20.68 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.615 1.566 . . . . 0.0 111.748 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 126.3 28.9 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.894 -1.129 . . . . 0.0 111.716 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 63.1 m -91.19 165.48 13.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.501 1.12 . . . . 0.0 112.658 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -68.03 -16.53 64.08 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.329 1.052 . . . . 0.0 113.818 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.77 -17.13 63.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.084 1.354 . . . . 0.0 113.254 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.27 60.92 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.116 1.341 . . . . 0.0 113.796 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.7 148.57 34.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.089 1.355 . . . . 0.0 111.233 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 110.05 3.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.808 0.843 . . . . 0.0 110.356 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.76 148.72 21.92 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.526 1.06 . . . . 0.0 112.775 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.4 m -106.88 138.49 42.95 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.861 0.864 . . . . 0.0 111.58 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 125.57 1.548 . . . . 0.0 111.055 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.481 0.657 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.73 110.0 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 120.824 -1.173 . . . . 0.0 108.451 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 163.39 12.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.687 1.195 . . . . 0.0 111.326 166.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -113.97 149.54 35.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.165 1.386 . . . . 0.0 110.624 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.14 142.92 38.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.078 0.951 . . . . 0.0 111.287 175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -109.04 124.88 51.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.72 2.008 . . . . 0.0 111.074 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -80.4 178.95 7.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.201 1.4 . . . . 0.0 111.54 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.69 -16.56 61.68 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.09 2.88 54.76 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.165 0.893 . . . . 0.0 112.781 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.59 7.82 88.16 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.154 1.359 . . . . 0.0 114.772 -168.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.57 120.11 18.72 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.472 1.136 . . . . 0.0 108.498 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.56 132.43 48.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.323 0.649 . . . . 0.0 112.013 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.35 163.16 26.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.443 1.497 . . . . 0.0 112.054 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 136.05 49.84 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.793 1.237 . . . . 0.0 111.509 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.13 109.98 27.05 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.217 1.407 . . . . 0.0 110.891 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -73.76 123.0 8.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.913 3.075 . . . . 0.0 111.996 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -105.33 142.84 34.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.413 1.885 . . . . 0.0 111.144 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.18 159.65 20.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.313 -0.867 . . . . 0.0 110.962 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.87 -19.88 60.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.262 1.025 . . . . 0.0 113.59 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.98 -12.3 61.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.76 1.224 . . . . 0.0 113.214 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.68 167.38 11.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.106 2.162 . . . . 0.0 112.088 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -135.89 148.0 48.4 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.815 1.246 . . . . 0.0 111.469 170.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -62.74 110.13 3.11 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 128.015 2.526 . . . . 0.0 111.631 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.87 150.46 55.45 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.352 2.701 . . . . 0.0 110.86 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.81 15.49 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.594 1.568 . . . . 0.0 115.173 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.97 159.38 42.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.122 0.961 . . . . 0.0 112.937 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.11 148.06 21.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.056 1.342 . . . . 0.0 112.343 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 125.16 25.8 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.946 -1.096 . . . . 0.0 111.687 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.8 m -91.46 165.75 13.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.599 1.159 . . . . 0.0 112.867 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -68.55 -16.37 63.85 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.64 -17.09 64.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.057 1.343 . . . . 0.0 113.173 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 13.35 60.71 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.172 1.368 . . . . 0.0 113.82 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.5 148.67 33.97 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.041 1.336 . . . . 0.0 111.258 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.24 110.01 2.87 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.857 0.863 . . . . 0.0 110.205 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.35 148.48 21.34 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.385 0.993 . . . . 0.0 112.501 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 m -106.3 140.25 39.53 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.787 -0.831 . . . . 0.0 111.559 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 125.11 1.364 . . . . 0.0 112.049 -177.663 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 121.26 0.552 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.4 mp -88.5 103.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.99 26.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.321 1.049 . . . . 0.0 110.89 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -94.2 151.56 19.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.482 0.713 . . . . 0.0 111.539 174.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -140.52 141.25 35.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.573 1.149 . . . . 0.0 111.589 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -108.29 124.89 51.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.502 1.921 . . . . 0.0 110.99 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -77.67 177.7 7.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.215 1.406 . . . . 0.0 111.333 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.84 -10.49 59.81 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.438 -0.789 . . . . 0.0 112.674 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -99.43 12.12 37.24 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.46 1.904 . . . . 0.0 111.527 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.78 1.21 89.26 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 126.413 1.959 . . . . 0.0 115.096 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.83 120.26 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.483 0.641 . . . . 0.0 109.954 -167.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -102.5 128.4 49.15 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.413 0.625 . . . . 0.0 111.772 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.33 160.78 29.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.641 1.576 . . . . 0.0 111.487 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -110.28 132.58 54.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.478 1.511 . . . . 0.0 111.221 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.78 110.09 29.88 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 125.503 1.521 . . . . 0.0 110.689 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.43 130.04 16.74 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.049 3.166 . . . . 0.0 113.019 170.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -117.77 142.26 47.48 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.185 2.194 . . . . 0.0 111.455 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.16 163.12 18.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.958 0.903 . . . . 0.0 111.356 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.55 -19.94 58.86 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.199 -0.938 . . . . 0.0 113.387 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.95 -10.6 60.01 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.72 1.208 . . . . 0.0 113.093 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.4 160.49 28.06 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.649 1.98 . . . . 0.0 112.493 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.92 139.48 50.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 110.797 172.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.11 110.07 1.89 Allowed Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 127.777 2.431 . . . . 0.0 111.385 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.71 149.81 55.33 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.149 2.566 . . . . 0.0 110.519 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.87 15.14 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.514 1.53 . . . . 0.0 115.19 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -140.04 159.69 41.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.111 0.955 . . . . 0.0 112.339 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -157.21 148.07 21.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.532 1.533 . . . . 0.0 112.008 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 125.91 28.14 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.866 -1.146 . . . . 0.0 111.972 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -92.67 163.97 13.57 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.67 1.188 . . . . 0.0 112.77 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -68.35 -14.98 63.38 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.73 -17.14 64.0 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.506 0.67 . . . . 0.0 112.649 169.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.95 58.31 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.59 1.566 . . . . 0.0 113.912 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.7 tpp -109.91 148.34 31.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.102 1.761 . . . . 0.0 111.179 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.4 110.04 3.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.574 0.75 . . . . 0.0 110.06 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.44 22.69 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.638 1.113 . . . . 0.0 112.559 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.6 m -106.67 139.27 41.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.758 0.823 . . . . 0.0 111.426 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.348 1.459 . . . . 0.0 110.964 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 121.549 0.69 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.41 107.41 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 124.211 1.004 . . . . 0.0 108.675 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 161.99 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.675 1.19 . . . . 0.0 110.497 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -114.02 153.97 28.46 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.567 1.147 . . . . 0.0 110.027 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -140.94 138.46 33.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.038 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -104.15 124.23 48.71 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.603 1.961 . . . . 0.0 110.982 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -80.06 178.81 7.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.939 1.296 . . . . 0.0 111.735 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.09 -16.58 61.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.77 2.4 54.93 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.165 0.893 . . . . 0.0 112.694 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.49 8.92 87.06 Favored Glycine 0 C--N 1.341 0.82 0 C-N-CA 125.176 1.37 . . . . 0.0 114.807 -168.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 119.59 18.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.235 . . . . 0.0 108.491 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -102.54 128.48 49.16 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.823 0.849 . . . . 0.0 111.823 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.73 163.29 23.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.273 1.429 . . . . 0.0 111.61 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.97 136.53 49.1 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.276 1.03 . . . . 0.0 110.582 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.4 109.92 30.76 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.797 1.239 . . . . 0.0 109.716 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.15 126.02 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.36 2.707 . . . . 0.0 111.547 172.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -110.18 141.53 42.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.37 1.868 . . . . 0.0 111.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.03 158.78 26.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.662 0.785 . . . . 0.0 111.181 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.39 -19.93 50.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.985 1.314 . . . . 0.0 113.746 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.99 -13.13 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.819 1.248 . . . . 0.0 113.412 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.69 160.22 26.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.684 1.994 . . . . 0.0 112.62 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -131.25 142.41 50.14 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.06 1.344 . . . . 0.0 111.315 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.3 110.01 2.25 Favored Pre-proline 0 N--CA 1.471 0.597 0 C-N-CA 128.026 2.53 . . . . 0.0 111.701 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -72.07 149.8 53.12 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.284 2.656 . . . . 0.0 110.725 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.94 -29.92 14.91 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.718 1.628 . . . . 0.0 115.378 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 p -139.99 159.61 41.79 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.103 0.951 . . . . 0.0 112.351 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -157.68 148.11 20.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.581 1.552 . . . . 0.0 111.907 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 125.19 25.78 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.883 -1.136 . . . . 0.0 111.863 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.17 165.7 14.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.621 1.168 . . . . 0.0 112.606 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -67.98 -17.05 64.31 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -68.63 -17.13 64.05 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.18 1.392 . . . . 0.0 113.31 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.0 14.69 58.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.148 1.356 . . . . 0.0 113.812 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.29 148.57 37.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.043 1.337 . . . . 0.0 111.284 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.94 110.04 3.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.84 0.856 . . . . 0.0 110.468 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.3 150.65 22.12 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.775 1.178 . . . . 0.0 112.974 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -109.61 138.36 46.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.922 0.889 . . . . 0.0 112.073 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 126.035 1.734 . . . . 0.0 112.24 -170.22 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.4 mm -96.11 103.72 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.74 166.94 11.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.417 0.687 . . . . 0.0 110.228 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -123.72 152.67 41.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.032 0.933 . . . . 0.0 111.391 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -141.52 138.71 32.94 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.667 1.187 . . . . 0.0 112.631 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -104.14 124.09 48.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.8 2.04 . . . . 0.0 111.499 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -79.24 178.36 8.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.06 1.344 . . . . 0.0 111.781 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.78 -16.74 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.11 2.95 54.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.218 0.917 . . . . 0.0 112.708 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.01 87.05 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.17 1.367 . . . . 0.0 114.813 -169.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.04 119.64 19.48 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.541 1.171 . . . . 0.0 108.434 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -102.56 130.73 49.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.459 0.704 . . . . 0.0 112.203 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.66 163.2 24.77 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.96 1.704 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -109.9 137.69 47.34 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -127.03 110.04 21.78 Favored Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 125.61 1.564 . . . . 0.0 110.366 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -68.81 130.07 19.82 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.225 3.283 . . . . 0.0 113.09 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -120.0 148.35 43.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.055 2.142 . . . . 0.0 111.206 171.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.15 156.8 18.57 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.835 -1.166 . . . . 0.0 110.885 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 -19.99 63.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.099 -1.001 . . . . 0.0 113.603 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.89 -16.83 61.1 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.82 1.248 . . . . 0.0 113.213 172.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.56 177.46 4.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.784 2.034 . . . . 0.0 112.178 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -133.07 165.28 25.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.814 1.646 . . . . 0.0 111.369 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -91.17 107.37 20.79 Favored Pre-proline 0 N--CA 1.47 0.536 0 C-N-CA 126.69 1.996 . . . . 0.0 108.794 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.54 151.1 70.26 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.117 2.544 . . . . 0.0 110.167 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.65 -29.89 13.03 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.563 1.554 . . . . 0.0 115.031 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.4 p -139.97 159.37 42.32 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.261 1.031 . . . . 0.0 112.429 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -157.03 148.11 21.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.87 1.668 . . . . 0.0 111.578 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 126.69 30.32 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.987 -1.071 . . . . 0.0 111.767 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.3 m -90.93 165.16 13.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.648 1.179 . . . . 0.0 112.846 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -69.45 -13.53 62.4 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.4 -17.14 63.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.018 1.327 . . . . 0.0 113.095 168.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 13.05 61.23 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.005 1.288 . . . . 0.0 113.782 -174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.6 148.83 33.77 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 111.372 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.14 110.12 3.32 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.834 0.854 . . . . 0.0 110.446 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.91 149.82 21.83 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.877 1.227 . . . . 0.0 113.038 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.6 m -108.86 137.83 46.16 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.914 0.885 . . . . 0.0 112.081 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 126.272 1.829 . . . . 0.0 111.899 -170.048 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mm -86.23 106.82 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.89 160.86 14.12 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.574 -0.704 . . . . 0.0 111.4 172.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -113.44 148.59 35.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.154 1.382 . . . . 0.0 110.26 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -139.5 142.72 37.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.01 0.924 . . . . 0.0 111.346 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -108.75 124.73 51.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.639 1.576 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 p -78.85 178.03 8.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.126 1.37 . . . . 0.0 111.681 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.68 -16.6 61.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.79 2.29 53.78 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.225 0.92 . . . . 0.0 112.66 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.42 4.31 89.44 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 125.308 1.432 . . . . 0.0 114.853 -169.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.58 120.15 17.79 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.236 . . . . 0.0 109.074 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -102.49 133.73 46.98 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.202 0.601 . . . . 0.0 111.681 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -128.69 163.02 26.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.147 1.379 . . . . 0.0 111.935 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.02 134.66 51.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.132 1.373 . . . . 0.0 110.59 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 t -125.65 110.02 25.61 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.604 1.562 . . . . 0.0 110.69 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -69.0 130.06 19.57 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.003 3.135 . . . . 0.0 112.371 169.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.14 140.07 47.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.085 1.754 . . . . 0.0 111.275 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.73 164.58 19.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.843 0.857 . . . . 0.0 112.137 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.19 -26.25 27.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.523 1.529 . . . . 0.0 113.839 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.76 -13.85 61.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.355 1.862 . . . . 0.0 114.019 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.69 161.35 31.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.778 1.631 . . . . 0.0 113.73 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -132.01 152.32 51.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.97 1.308 . . . . 0.0 112.602 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.0 110.19 4.28 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 129.369 3.068 . . . . 0.0 112.338 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.68 152.29 69.72 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.416 2.744 . . . . 0.0 111.4 166.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.14 -29.82 15.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.191 1.377 . . . . 0.0 115.328 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.8 p -141.55 160.2 40.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.466 1.106 . . . . 0.0 113.043 173.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -157.28 148.04 21.41 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 112.595 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 123.92 22.4 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.856 -1.153 . . . . 0.0 111.735 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.8 m -88.87 166.2 14.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.492 1.117 . . . . 0.0 112.516 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -20.72 65.22 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.203 1.001 . . . . 0.0 112.608 -174.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -65.09 -17.1 64.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.174 1.39 . . . . 0.0 113.245 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.19 59.6 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.203 1.383 . . . . 0.0 113.733 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.04 148.71 36.57 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.88 1.272 . . . . 0.0 111.565 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.91 110.0 1.96 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 111.195 172.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.84 147.32 19.27 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.423 1.011 . . . . 0.0 112.482 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -106.75 139.78 40.65 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.839 -0.801 . . . . 0.0 111.615 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 125.24 1.416 . . . . 0.0 112.551 -175.787 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.64 105.23 15.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 124.006 0.923 . . . . 0.0 108.741 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.07 152.32 18.88 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.487 0.715 . . . . 0.0 110.457 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -104.86 150.99 24.37 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.097 0.959 . . . . 0.0 110.619 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -141.46 142.82 33.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.756 1.222 . . . . 0.0 110.886 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -110.04 125.77 53.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -80.87 178.34 8.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.848 1.259 . . . . 0.0 111.898 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.18 -16.17 61.96 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.55 2.9 56.12 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.165 0.893 . . . . 0.0 112.787 171.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.92 8.72 87.14 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 124.933 1.254 . . . . 0.0 114.581 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.21 120.02 20.13 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.779 1.289 . . . . 0.0 108.574 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -102.53 131.25 49.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.538 0.735 . . . . 0.0 111.241 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -129.84 164.25 24.53 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.421 1.488 . . . . 0.0 112.328 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -109.87 134.03 52.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.763 1.225 . . . . 0.0 110.63 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.02 110.03 40.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 125.13 1.372 . . . . 0.0 109.247 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.56 128.83 13.03 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.282 2.655 . . . . 0.0 111.082 172.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.582 1.553 . . . . 0.0 111.302 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.57 158.79 25.65 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.142 -0.974 . . . . 0.0 111.349 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.87 -19.94 54.24 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.286 1.034 . . . . 0.0 113.752 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.49 -12.82 60.31 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.064 1.345 . . . . 0.0 113.504 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.16 173.68 6.65 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.047 2.139 . . . . 0.0 112.806 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.14 167.32 20.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.113 1.765 . . . . 0.0 111.644 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.35 110.03 37.86 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 127.015 2.126 . . . . 0.0 109.875 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.45 151.7 53.78 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.614 2.876 . . . . 0.0 110.789 168.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.88 15.24 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.656 1.598 . . . . 0.0 115.23 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -140.04 159.29 42.5 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.292 1.046 . . . . 0.0 112.514 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -157.83 147.96 20.44 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 112.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.86 24.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.874 -1.141 . . . . 0.0 111.663 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.2 m -91.81 165.99 12.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.652 1.181 . . . . 0.0 112.838 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -67.43 -15.86 63.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.264 1.026 . . . . 0.0 113.753 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.15 -17.13 63.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.092 1.357 . . . . 0.0 113.273 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.62 61.83 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.016 1.293 . . . . 0.0 113.596 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -113.15 147.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.693 1.597 . . . . 0.0 111.166 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.46 110.05 3.46 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.905 0.882 . . . . 0.0 110.374 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.01 148.54 21.59 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.366 0.984 . . . . 0.0 112.731 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.4 m -108.28 137.77 45.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.947 0.899 . . . . 0.0 111.617 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.769 1.628 . . . . 0.0 111.025 -174.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mm -85.21 106.56 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 168.93 10.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.103 0.961 . . . . 0.0 111.267 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -125.45 152.01 45.48 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 110.767 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -142.03 143.58 33.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.225 1.01 . . . . 0.0 112.303 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -110.05 123.77 50.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.299 2.24 . . . . 0.0 110.851 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.8 p -80.48 178.75 8.11 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 111.692 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.0 -16.09 62.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.3 2.55 56.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.119 0.872 . . . . 0.0 112.755 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.25 9.29 86.74 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.137 1.351 . . . . 0.0 114.825 -168.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.42 119.97 19.34 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.673 1.237 . . . . 0.0 108.477 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -102.55 130.26 49.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.465 0.706 . . . . 0.0 112.113 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.5 163.91 23.08 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.998 1.719 . . . . 0.0 111.686 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 137.3 47.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.28 1.432 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 t -126.96 110.09 21.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.889 1.275 . . . . 0.0 110.95 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -70.16 130.03 18.17 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.445 3.43 . . . . 0.0 112.129 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.42 140.66 49.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.228 1.811 . . . . 0.0 111.525 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 162.55 20.81 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.993 0.917 . . . . 0.0 111.791 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.9 -26.04 45.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.203 1.401 . . . . 0.0 114.626 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.44 -12.69 60.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.793 1.237 . . . . 0.0 114.118 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.46 164.19 14.64 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.783 2.033 . . . . 0.0 112.655 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 149.44 48.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.952 1.301 . . . . 0.0 111.495 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.88 110.12 3.43 Favored Pre-proline 0 C--O 1.239 0.512 0 C-N-CA 127.882 2.473 . . . . 0.0 111.382 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.07 150.33 60.05 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.373 2.715 . . . . 0.0 110.582 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.98 15.78 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.571 1.558 . . . . 0.0 115.144 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.98 159.32 42.45 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.121 0.961 . . . . 0.0 112.558 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -157.62 148.03 20.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.393 1.477 . . . . 0.0 112.353 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.95 125.34 26.47 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.849 -1.157 . . . . 0.0 111.756 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.11 164.29 13.64 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.651 1.18 . . . . 0.0 112.79 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.88 -16.06 63.5 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -67.73 -17.02 64.42 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.264 1.026 . . . . 0.0 112.927 170.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 13.94 60.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.241 1.4 . . . . 0.0 113.63 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.6 tpp -114.85 147.42 39.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.676 1.59 . . . . 0.0 111.398 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.28 110.1 3.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.01 0.924 . . . . 0.0 110.392 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.79 148.86 21.27 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.436 1.017 . . . . 0.0 112.857 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.1 m -107.91 138.61 43.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.231 1.012 . . . . 0.0 111.61 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 125.415 1.486 . . . . 0.0 111.945 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mm -89.91 100.98 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.259 -0.9 . . . . 0.0 109.106 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.05 139.47 33.01 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 111.644 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -91.62 150.57 21.1 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.603 0.761 . . . . 0.0 111.249 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -141.64 142.21 33.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -109.34 125.0 51.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.945 1.698 . . . . 0.0 111.471 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -79.46 177.81 8.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.987 1.315 . . . . 0.0 111.67 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.39 -16.11 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -90.75 2.78 55.72 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.179 0.9 . . . . 0.0 112.707 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.63 89.03 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.234 1.397 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.5 120.17 18.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.699 1.249 . . . . 0.0 109.264 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -102.43 132.85 48.19 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.584 0.706 . . . . 0.0 111.912 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -127.84 161.86 28.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.897 1.679 . . . . 0.0 111.622 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -111.04 133.65 53.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.552 1.541 . . . . 0.0 111.388 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 t -123.94 110.02 29.61 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 126.094 1.757 . . . . 0.0 110.399 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -70.03 130.08 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.824 3.016 . . . . 0.0 112.54 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -118.16 141.69 48.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.434 1.893 . . . . 0.0 111.237 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.52 159.38 21.71 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.202 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.25 -19.96 56.9 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.757 1.223 . . . . 0.0 113.63 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.94 -13.13 61.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.902 1.281 . . . . 0.0 113.307 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.97 162.49 18.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.911 2.084 . . . . 0.0 112.35 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -131.83 139.84 48.96 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.897 1.279 . . . . 0.0 111.073 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -56.23 110.15 2.14 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 127.932 2.493 . . . . 0.0 111.323 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.47 149.42 56.09 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.188 2.592 . . . . 0.0 110.447 169.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.88 15.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.49 1.519 . . . . 0.0 115.246 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.97 160.13 40.62 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.063 0.931 . . . . 0.0 112.309 170.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.1 148.14 23.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.506 1.522 . . . . 0.0 111.593 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 124.84 25.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.95 -1.094 . . . . 0.0 111.791 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.79 162.44 14.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.423 1.089 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -69.17 -10.86 59.75 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -68.56 -17.16 64.09 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.283 1.033 . . . . 0.0 112.763 167.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 12.56 61.77 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.212 1.387 . . . . 0.0 113.586 -173.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.9 tpp -113.74 146.54 39.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.678 1.591 . . . . 0.0 111.308 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.15 110.04 3.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.752 0.821 . . . . 0.0 110.312 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.82 148.38 22.54 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.288 0.947 . . . . 0.0 112.652 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.6 m -107.01 138.75 42.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.801 0.841 . . . . 0.0 111.62 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 125.824 1.65 . . . . 0.0 111.074 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mm -85.8 106.21 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 157.1 16.06 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.339 0.656 . . . . 0.0 110.462 172.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -110.48 151.18 27.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.715 1.206 . . . . 0.0 110.614 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -141.47 142.24 33.63 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 111.788 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -110.0 125.95 53.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.378 1.871 . . . . 0.0 111.485 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -80.65 178.07 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.947 1.299 . . . . 0.0 111.875 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.3 -16.0 61.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.22 1.6 56.29 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.132 0.878 . . . . 0.0 112.704 170.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.33 86.41 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 125.106 1.336 . . . . 0.0 114.787 -168.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.82 119.99 20.57 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.039 1.42 . . . . 0.0 109.127 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -102.52 130.15 49.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.835 0.854 . . . . 0.0 111.969 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -130.06 164.07 25.16 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.855 1.662 . . . . 0.0 112.22 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -110.05 136.43 49.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.123 1.369 . . . . 0.0 111.872 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.96 109.95 21.95 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 125.075 1.35 . . . . 0.0 110.773 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.42 130.07 16.79 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.423 3.415 . . . . 0.0 112.339 169.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.363 1.865 . . . . 0.0 111.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.31 160.85 22.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.004 0.921 . . . . 0.0 111.409 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.23 -20.0 56.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.437 1.095 . . . . 0.0 113.632 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.97 -12.66 61.35 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.999 1.32 . . . . 0.0 113.546 172.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.45 23.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.69 1.996 . . . . 0.0 112.644 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -133.15 142.6 48.75 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.124 1.37 . . . . 0.0 111.379 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.36 110.07 2.31 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 128.1 2.56 . . . . 0.0 111.689 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.84 149.44 53.89 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.302 2.668 . . . . 0.0 110.581 169.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.39 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.43 1.49 . . . . 0.0 115.409 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.92 41.08 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.143 0.972 . . . . 0.0 112.01 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -156.5 148.05 22.59 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.127 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 124.27 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.886 -1.134 . . . . 0.0 111.653 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.7 m -95.07 165.43 12.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.692 1.197 . . . . 0.0 112.894 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -64.6 -18.74 65.17 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -67.3 -17.05 64.61 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.519 1.128 . . . . 0.0 113.147 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 14.66 58.95 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.162 1.363 . . . . 0.0 113.684 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -116.53 148.07 41.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.01 1.724 . . . . 0.0 110.982 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.45 110.06 3.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.427 0.632 . . . . 0.0 110.257 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.6 149.08 26.81 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.295 0.95 . . . . 0.0 112.417 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.6 m -106.83 138.33 43.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.013 0.925 . . . . 0.0 111.664 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.802 0 C-N-CA 126.146 1.778 . . . . 0.0 111.839 -172.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 121.087 0.47 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.08 108.06 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.299 -0.876 . . . . 0.0 108.705 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.87 162.81 13.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.034 0.934 . . . . 0.0 110.671 163.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -120.67 150.13 41.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.074 1.35 . . . . 0.0 111.474 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.92 139.43 34.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.484 1.113 . . . . 0.0 112.076 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -106.47 125.8 51.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.553 1.941 . . . . 0.0 111.25 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -81.71 177.84 8.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.663 1.185 . . . . 0.0 111.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.84 -15.01 61.62 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.0 0.58 56.54 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 119.101 0.864 . . . . 0.0 112.539 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.49 7.19 87.86 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.404 1.478 . . . . 0.0 114.901 -167.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.14 120.04 19.16 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.77 1.285 . . . . 0.0 109.067 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.47 130.34 49.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.797 0.839 . . . . 0.0 111.989 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.73 164.22 22.6 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.133 1.773 . . . . 0.0 111.678 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.05 134.14 54.66 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.115 1.366 . . . . 0.0 110.255 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -122.18 110.05 32.98 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 124.744 1.217 . . . . 0.0 110.362 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.6 120.5 4.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.511 2.808 . . . . 0.0 111.559 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -103.4 144.02 31.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.622 1.969 . . . . 0.0 111.11 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.81 157.68 23.08 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.178 -0.951 . . . . 0.0 111.569 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.73 -20.13 46.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.255 1.422 . . . . 0.0 113.993 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.1 -11.65 56.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.48 160.96 15.01 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.621 1.968 . . . . 0.0 112.017 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -131.9 138.55 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.859 1.264 . . . . 0.0 111.085 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.3 110.14 2.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 C-N-CA 127.786 2.434 . . . . 0.0 111.688 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -72.95 149.83 47.84 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.478 2.785 . . . . 0.0 111.023 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.99 -29.95 15.29 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.657 1.599 . . . . 0.0 115.207 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.91 160.7 39.32 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.116 0.958 . . . . 0.0 112.596 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -155.64 146.81 22.54 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.872 1.269 . . . . 0.0 112.525 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.86 123.91 22.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.731 -1.231 . . . . 0.0 111.754 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -98.19 163.87 12.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.015 1.326 . . . . 0.0 113.197 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.24 -13.29 62.14 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -173.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -66.89 -17.1 64.74 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 112.549 167.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 18.13 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.32 1.438 . . . . 0.0 113.653 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.0 tpt -122.0 150.47 42.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.541 1.537 . . . . 0.0 111.056 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.69 110.0 3.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.607 -0.683 . . . . 0.0 110.3 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 148.05 26.92 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.713 1.149 . . . . 0.0 112.059 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.2 m -107.71 137.64 45.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 111.866 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 tp . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 125.541 1.536 . . . . 0.0 112.141 -176.295 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.93 110.04 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.1 161.16 13.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.822 0.849 . . . . 0.0 111.226 165.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -116.33 150.2 38.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.329 1.452 . . . . 0.0 110.727 170.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.01 142.77 36.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.302 1.041 . . . . 0.0 111.694 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -110.12 124.61 51.84 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.94 2.096 . . . . 0.0 110.932 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p -80.26 178.89 7.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.995 1.318 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.29 -16.63 61.37 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.2 1.94 54.95 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.155 0.889 . . . . 0.0 112.723 170.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.42 8.85 87.15 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.202 1.382 . . . . 0.0 114.791 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.71 119.93 18.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.636 1.218 . . . . 0.0 108.478 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.43 129.47 48.94 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.475 0.71 . . . . 0.0 111.731 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -125.0 162.53 24.33 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.572 1.549 . . . . 0.0 111.367 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.91 137.94 46.99 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.392 1.077 . . . . 0.0 110.839 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.5 110.03 26.01 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 124.808 1.243 . . . . 0.0 110.184 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -72.42 130.03 15.62 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.882 3.055 . . . . 0.0 111.24 168.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -114.14 143.94 43.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.22 1.808 . . . . 0.0 110.714 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.46 157.92 19.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.092 -1.005 . . . . 0.0 111.388 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.1 -19.97 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -80.58 -12.47 59.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.66 174.95 5.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.327 2.251 . . . . 0.0 112.318 175.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.17 163.71 31.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.853 1.661 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -83.68 110.12 22.89 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.645 2.378 . . . . 0.0 111.028 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.33 151.82 54.59 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.617 2.878 . . . . 0.0 110.964 166.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -30.01 14.97 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.555 1.55 . . . . 0.0 115.203 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -139.91 159.42 42.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.154 0.977 . . . . 0.0 112.777 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.67 148.12 20.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.372 . . . . 0.0 112.605 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 122.43 18.24 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.958 -1.089 . . . . 0.0 111.933 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.4 m -86.95 161.86 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.434 1.093 . . . . 0.0 112.08 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -17.23 63.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.797 0.839 . . . . 0.0 112.803 -173.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -65.64 -17.08 64.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.065 1.346 . . . . 0.0 113.208 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 12.52 59.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.327 1.441 . . . . 0.0 113.84 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -112.28 148.1 34.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.98 1.312 . . . . 0.0 111.329 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.11 110.07 3.28 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.712 0.805 . . . . 0.0 110.307 174.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.15 148.55 21.51 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.441 1.02 . . . . 0.0 112.766 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 m -105.86 140.04 39.49 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.866 -0.785 . . . . 0.0 111.609 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 tp . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 125.507 1.523 . . . . 0.0 113.467 -175.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.27 103.63 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.376 -0.828 . . . . 0.0 109.11 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 164.23 12.65 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.699 0.761 . . . . 0.0 110.0 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.01 147.96 51.82 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.744 1.218 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -138.51 138.17 37.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.755 0.822 . . . . 0.0 112.137 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -104.14 124.96 50.03 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.352 1.461 . . . . 0.0 111.669 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.3 177.47 8.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.936 1.294 . . . . 0.0 111.707 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.67 -15.79 61.7 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.59 2.03 56.21 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.292 0.951 . . . . 0.0 112.703 171.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.31 5.64 86.97 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 125.16 1.362 . . . . 0.0 114.984 -168.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.18 120.1 20.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.962 1.381 . . . . 0.0 109.381 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.56 130.6 49.46 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.778 0.831 . . . . 0.0 111.827 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -129.01 163.46 25.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.731 1.612 . . . . 0.0 111.973 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.97 138.97 45.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.118 1.367 . . . . 0.0 111.506 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.84 109.78 18.57 Favored Pre-proline 0 N--CA 1.473 0.723 0 C-N-CA 125.211 1.404 . . . . 0.0 110.459 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -70.32 130.02 17.96 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 124.18 3.253 . . . . 0.0 111.861 169.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.56 142.5 46.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.201 1.801 . . . . 0.0 111.26 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 159.34 20.95 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.316 -0.865 . . . . 0.0 111.244 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.61 -19.93 59.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.546 1.139 . . . . 0.0 113.62 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.95 -14.18 61.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.95 1.3 . . . . 0.0 113.358 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.52 162.9 16.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.659 1.984 . . . . 0.0 112.593 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.22 139.16 49.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.044 1.338 . . . . 0.0 111.175 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.63 110.26 2.77 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 128.073 2.549 . . . . 0.0 111.69 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -71.07 149.96 59.46 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.295 2.664 . . . . 0.0 110.8 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.03 -29.95 15.52 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.538 1.542 . . . . 0.0 115.06 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -140.08 160.33 40.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 112.695 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -156.33 148.05 22.83 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.131 1.372 . . . . 0.0 112.033 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 125.51 27.0 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.906 -1.122 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.7 m -92.74 163.78 13.62 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.693 1.197 . . . . 0.0 112.801 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -66.34 -14.77 62.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.53 -17.05 64.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.97 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 12.7 61.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.078 1.323 . . . . 0.0 113.572 -173.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.0 tpp -114.55 148.45 37.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.753 1.621 . . . . 0.0 111.544 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.18 110.04 3.31 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.946 0.898 . . . . 0.0 110.492 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.36 147.28 20.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.711 1.148 . . . . 0.0 112.619 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.6 m -108.82 137.65 46.41 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.819 0.848 . . . . 0.0 111.951 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 125.484 1.514 . . . . 0.0 113.187 -173.403 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.333 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.94 107.44 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 124.317 1.047 . . . . 0.0 109.211 175.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.59 14.82 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.625 0.77 . . . . 0.0 110.516 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -116.84 149.14 40.52 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.899 1.28 . . . . 0.0 109.721 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -137.46 137.36 38.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.855 0.862 . . . . 0.0 111.927 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -104.04 123.46 47.25 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.371 1.468 . . . . 0.0 111.539 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -78.64 178.19 8.03 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.166 1.386 . . . . 0.0 111.765 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.16 -15.92 61.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.19 3.01 55.9 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.238 0.926 . . . . 0.0 112.668 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 5.77 88.27 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.2 1.381 . . . . 0.0 114.916 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.37 120.04 20.28 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.806 1.303 . . . . 0.0 109.229 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.45 129.59 49.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.796 0.838 . . . . 0.0 111.941 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 95.8 m-85 -127.47 163.04 24.97 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.555 1.542 . . . . 0.0 111.651 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.95 138.41 46.36 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.433 1.093 . . . . 0.0 110.33 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.13 110.02 31.25 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.621 1.169 . . . . 0.0 109.45 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.82 128.34 11.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.353 2.702 . . . . 0.0 110.803 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.41 140.66 48.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.429 1.492 . . . . 0.0 110.955 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.91 159.82 22.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.191 -0.943 . . . . 0.0 111.531 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.42 -19.88 57.74 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 113.68 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.83 -12.44 60.68 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.984 1.314 . . . . 0.0 113.48 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.5 174.37 6.59 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.144 2.178 . . . . 0.0 112.736 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.59 164.19 28.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.052 1.741 . . . . 0.0 111.696 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.35 110.05 28.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 127.651 2.38 . . . . 0.0 111.066 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.48 151.64 53.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.703 2.935 . . . . 0.0 111.093 166.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.91 15.79 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.755 1.645 . . . . 0.0 115.323 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.94 41.04 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 112.724 171.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -157.13 147.98 21.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.316 1.446 . . . . 0.0 111.839 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 125.93 28.18 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.858 -1.151 . . . . 0.0 111.632 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.02 161.04 16.8 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.44 1.096 . . . . 0.0 112.187 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -64.09 -16.79 62.53 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.1 -17.12 64.2 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.979 1.312 . . . . 0.0 113.099 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.06 62.59 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.195 1.378 . . . . 0.0 113.484 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.6 tpp -114.87 147.02 40.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 111.555 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.58 110.13 3.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.008 0.923 . . . . 0.0 110.549 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.5 148.65 20.68 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.779 1.18 . . . . 0.0 112.971 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.5 m -109.55 138.18 46.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 112.037 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 tp . . . . . 0 CA--C 1.54 0.559 0 C-N-CA 125.647 1.579 . . . . 0.0 114.75 -172.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.06 110.01 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 160.04 14.58 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.983 0.913 . . . . 0.0 110.122 163.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -113.8 155.58 25.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.375 1.07 . . . . 0.0 110.268 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -142.79 141.43 31.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.82 0.848 . . . . 0.0 111.537 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -106.93 123.67 48.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.185 1.794 . . . . 0.0 111.414 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -77.58 178.21 7.45 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.298 1.439 . . . . 0.0 111.653 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.16 -15.96 61.97 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -91.34 3.53 54.68 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.233 0.924 . . . . 0.0 112.889 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 5.35 89.49 Favored Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.153 1.359 . . . . 0.0 114.62 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.83 120.14 19.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.486 1.143 . . . . 0.0 108.766 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.43 132.74 48.26 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.578 0.704 . . . . 0.0 111.94 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -126.85 163.17 24.21 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.985 1.714 . . . . 0.0 111.426 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.94 134.26 52.29 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.071 1.348 . . . . 0.0 110.158 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.27 110.03 34.63 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 124.554 1.142 . . . . 0.0 109.65 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.5 119.94 4.27 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.318 2.679 . . . . 0.0 111.293 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.75 142.76 33.35 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.931 1.692 . . . . 0.0 111.367 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.2 26.6 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.272 -0.893 . . . . 0.0 111.46 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.69 -19.99 53.35 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.83 -12.03 60.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.037 1.335 . . . . 0.0 113.474 172.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.95 173.51 7.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.991 2.117 . . . . 0.0 112.92 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.03 166.15 23.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.11 1.764 . . . . 0.0 111.602 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -89.04 110.03 35.09 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.221 2.209 . . . . 0.0 110.115 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.22 151.46 54.81 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.683 2.922 . . . . 0.0 110.816 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.89 15.58 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.634 1.587 . . . . 0.0 115.184 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.94 159.56 41.9 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.203 1.001 . . . . 0.0 112.494 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.9 148.01 21.98 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.362 1.465 . . . . 0.0 111.92 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 125.41 26.69 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.891 -1.13 . . . . 0.0 111.487 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.66 163.12 14.22 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.52 1.128 . . . . 0.0 112.5 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -68.38 -11.7 60.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.65 -17.14 64.04 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.626 1.17 . . . . 0.0 112.846 168.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 12.85 61.51 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.264 1.411 . . . . 0.0 113.582 -173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.1 tpp -114.22 147.18 39.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.46 1.504 . . . . 0.0 111.546 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.34 110.06 3.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 110.45 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.01 148.87 21.13 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.407 1.003 . . . . 0.0 112.851 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 m -108.41 138.01 45.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.984 0.914 . . . . 0.0 111.888 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.545 0.754 0 C-N-CA 125.997 1.719 . . . . 0.0 111.682 -171.839 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 121.396 0.617 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.02 108.2 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 121.243 -0.911 . . . . 0.0 108.554 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.88 165.14 12.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.765 1.226 . . . . 0.0 111.321 168.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -114.95 149.35 37.44 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.228 1.411 . . . . 0.0 111.001 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.12 142.98 38.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.033 0.933 . . . . 0.0 111.341 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -109.22 125.03 51.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.487 1.915 . . . . 0.0 111.009 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.9 p -77.24 176.27 8.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.789 1.235 . . . . 0.0 111.277 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.3 -11.74 59.94 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.353 -0.842 . . . . 0.0 112.488 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.86 11.4 33.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.052 1.741 . . . . 0.0 111.61 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.61 -0.24 89.46 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 126.441 1.972 . . . . 0.0 114.945 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.39 120.12 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.457 0.703 . . . . 0.0 109.912 -167.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -102.43 130.84 49.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.521 0.677 . . . . 0.0 111.571 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -126.94 162.51 25.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.855 1.662 . . . . 0.0 111.401 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.0 136.39 49.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 111.283 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.0 110.05 24.61 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.01 1.324 . . . . 0.0 111.087 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.45 125.45 10.16 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.066 3.178 . . . . 0.0 112.056 168.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -108.42 141.84 39.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.532 1.933 . . . . 0.0 111.263 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.9 23.74 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.349 -0.845 . . . . 0.0 110.92 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.16 -19.99 56.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.434 1.094 . . . . 0.0 113.627 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.96 -13.35 61.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.933 1.293 . . . . 0.0 113.23 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.19 20.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.984 2.114 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 139.96 50.11 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.942 1.297 . . . . 0.0 111.06 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -55.68 110.15 2.08 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 127.737 2.415 . . . . 0.0 111.752 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.08 150.26 53.84 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.27 2.646 . . . . 0.0 110.786 168.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.13 -29.84 15.92 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.622 1.582 . . . . 0.0 115.096 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -139.99 159.98 40.95 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.066 0.933 . . . . 0.0 112.841 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -156.88 148.02 22.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.183 1.393 . . . . 0.0 112.402 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.94 125.8 27.83 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.763 -1.211 . . . . 0.0 111.791 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.6 m -95.07 164.02 13.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.699 1.199 . . . . 0.0 113.081 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -68.89 -13.88 62.69 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.87 -17.22 63.95 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 118.812 0.733 . . . . 0.0 112.511 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.92 14.66 54.58 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.544 1.545 . . . . 0.0 113.901 -177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.8 tpt -113.98 145.53 41.41 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.736 1.614 . . . . 0.0 111.262 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.57 110.03 1.03 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.163 0.985 . . . . 0.0 110.315 169.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.68 147.73 21.41 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.425 1.012 . . . . 0.0 112.135 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.9 m -105.24 140.4 38.45 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.834 -0.804 . . . . 0.0 111.304 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.032 1.333 . . . . 0.0 112.313 -177.455 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.04 110.0 21.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.18 -0.95 . . . . 0.0 108.523 177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.85 161.57 13.8 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.52 0.728 . . . . 0.0 110.093 165.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -123.46 151.69 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.661 1.184 . . . . 0.0 110.125 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -138.7 137.76 37.11 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.615 0.766 . . . . 0.0 112.273 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -104.13 123.12 46.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.692 1.597 . . . . 0.0 111.395 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -77.5 178.38 7.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.38 1.472 . . . . 0.0 111.898 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.77 -16.21 61.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -91.17 3.11 55.64 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.146 0.884 . . . . 0.0 112.815 171.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.93 88.61 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.074 1.321 . . . . 0.0 114.778 -169.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.79 120.01 19.76 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.58 1.19 . . . . 0.0 108.643 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -102.44 131.72 48.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.71 -0.619 . . . . 0.0 112.132 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -127.93 162.46 26.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.88 1.672 . . . . 0.0 111.471 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -109.89 137.94 46.97 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.367 1.467 . . . . 0.0 110.904 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.98 109.03 18.25 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.817 1.247 . . . . 0.0 110.141 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -71.08 130.0 17.06 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.081 3.188 . . . . 0.0 111.38 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -114.5 145.23 42.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.456 1.902 . . . . 0.0 110.969 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 155.58 20.52 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 111.28 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -19.87 58.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.424 1.09 . . . . 0.0 113.771 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -10.64 59.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.28 174.99 5.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.838 2.055 . . . . 0.0 112.179 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.21 160.08 38.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.355 1.462 . . . . 0.0 110.704 170.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.69 110.06 24.73 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 127.643 2.377 . . . . 0.0 110.269 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.31 151.77 60.49 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.367 2.711 . . . . 0.0 110.778 167.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.88 14.95 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.509 1.528 . . . . 0.0 115.071 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.2 p -139.97 158.71 43.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.029 0.915 . . . . 0.0 112.926 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -156.61 148.15 22.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.472 1.509 . . . . 0.0 111.866 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 126.94 31.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 111.511 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.53 165.4 13.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.552 1.141 . . . . 0.0 112.777 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -68.78 -13.61 62.51 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -69.7 -17.15 63.45 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 113.157 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.09 61.16 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.895 1.236 . . . . 0.0 113.657 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -112.69 147.74 36.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.372 1.469 . . . . 0.0 111.501 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.54 110.04 2.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.255 1.022 . . . . 0.0 110.353 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.1 148.85 19.98 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.582 1.087 . . . . 0.0 113.206 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 m -109.57 137.71 47.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.898 0.879 . . . . 0.0 112.04 175.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 tp . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.843 1.657 . . . . 0.0 115.358 -172.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.12 106.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 160.97 14.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.073 0.949 . . . . 0.0 111.139 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -115.43 150.34 36.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.333 1.453 . . . . 0.0 111.016 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -141.86 143.72 33.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.433 1.093 . . . . 0.0 111.678 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -110.07 124.98 52.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.54 1.936 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -79.63 178.4 8.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.197 1.399 . . . . 0.0 111.826 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.3 -16.1 61.9 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.28 2.54 56.3 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.146 0.885 . . . . 0.0 112.769 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.64 9.99 85.74 Favored Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.961 1.267 . . . . 0.0 114.59 -168.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.72 119.99 20.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.178 1.489 . . . . 0.0 108.752 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -102.48 130.27 49.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.773 0.829 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.99 164.1 23.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.564 1.546 . . . . 0.0 112.254 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.99 138.79 45.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.224 1.009 . . . . 0.0 111.786 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.01 110.0 24.59 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.794 1.637 . . . . 0.0 110.425 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -69.09 130.02 19.4 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.346 3.364 . . . . 0.0 112.233 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.62 142.2 47.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.321 1.848 . . . . 0.0 111.353 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.96 21.94 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.104 -0.998 . . . . 0.0 111.403 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.72 -19.98 60.12 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.209 1.004 . . . . 0.0 113.573 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.74 -12.68 60.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.003 1.321 . . . . 0.0 113.397 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.05 174.36 6.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.263 2.225 . . . . 0.0 112.735 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.49 165.14 25.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.202 1.801 . . . . 0.0 111.22 171.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.2 109.96 29.58 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 126.968 2.107 . . . . 0.0 109.732 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.03 153.97 71.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.618 2.878 . . . . 0.0 110.881 168.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.9 15.81 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.619 1.104 . . . . 0.0 115.02 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -142.47 159.89 41.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.207 1.004 . . . . 0.0 112.78 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -156.97 148.06 21.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.203 1.401 . . . . 0.0 112.262 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.15 123.99 22.59 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.952 -1.093 . . . . 0.0 111.538 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.9 m -92.26 166.46 12.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.669 1.188 . . . . 0.0 112.838 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -67.3 -15.67 63.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.067 . . . . 0.0 113.818 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.17 -17.12 63.77 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.076 1.35 . . . . 0.0 113.336 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 12.97 61.25 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.783 1.183 . . . . 0.0 113.617 -173.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -114.66 148.41 38.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.779 1.632 . . . . 0.0 111.24 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.25 109.96 3.31 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.894 0.878 . . . . 0.0 110.465 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.74 147.87 21.45 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.327 0.965 . . . . 0.0 112.605 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -106.71 137.82 44.04 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.985 0.914 . . . . 0.0 111.574 173.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.414 1.486 . . . . 0.0 110.791 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.9 mm -92.72 106.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 124.514 1.126 . . . . 0.0 109.062 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 160.16 14.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.804 0.841 . . . . 0.0 110.97 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -112.08 151.91 28.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.682 1.193 . . . . 0.0 110.614 169.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -140.88 141.75 34.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.255 1.022 . . . . 0.0 111.332 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -108.56 124.67 50.82 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.637 1.975 . . . . 0.0 111.019 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 p -79.65 178.39 8.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.989 1.316 . . . . 0.0 111.41 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.66 -16.37 61.7 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -89.36 1.85 55.22 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.157 0.89 . . . . 0.0 112.669 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.18 7.79 88.04 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 125.14 1.352 . . . . 0.0 114.779 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.61 120.03 18.65 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.668 1.234 . . . . 0.0 108.536 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.5 132.5 48.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.533 0.682 . . . . 0.0 112.05 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.85 163.36 23.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.712 1.605 . . . . 0.0 111.464 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 133.9 52.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.843 1.257 . . . . 0.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.07 110.09 38.44 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 124.756 1.222 . . . . 0.0 109.955 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.19 129.95 14.68 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.358 2.705 . . . . 0.0 111.278 171.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -119.56 140.81 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.771 1.628 . . . . 0.0 111.402 174.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.54 159.41 24.13 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.316 -0.865 . . . . 0.0 111.376 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.89 -19.95 54.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.925 1.29 . . . . 0.0 113.67 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.98 -13.48 61.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.918 1.287 . . . . 0.0 113.478 171.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.71 160.91 22.35 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.675 1.99 . . . . 0.0 112.557 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -131.5 141.69 49.8 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.044 1.338 . . . . 0.0 111.116 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.8 110.14 2.3 Favored Pre-proline 0 N--CA 1.472 0.625 0 C-N-CA 127.934 2.494 . . . . 0.0 111.407 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.86 149.9 54.57 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.288 2.659 . . . . 0.0 110.605 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.31 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.515 1.531 . . . . 0.0 115.307 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.07 159.72 41.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.159 0.979 . . . . 0.0 112.413 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -157.93 148.13 20.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.52 1.528 . . . . 0.0 111.872 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 125.94 28.22 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.969 -1.082 . . . . 0.0 111.951 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.0 m -92.02 162.97 14.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.66 1.184 . . . . 0.0 112.687 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.43 -14.58 63.06 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.41 -17.1 64.58 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.106 0.962 . . . . 0.0 112.83 169.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 12.89 60.23 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.304 1.43 . . . . 0.0 113.689 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -113.73 147.99 37.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.977 1.311 . . . . 0.0 111.321 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.04 109.96 2.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.313 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.65 149.14 23.22 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.47 1.033 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.1 m -107.05 138.62 42.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.961 0.904 . . . . 0.0 111.318 173.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.585 1.554 . . . . 0.0 110.669 -176.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.4 0.619 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.55 109.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 123.973 0.909 . . . . 0.0 108.659 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.27 15.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.22 1.008 . . . . 0.0 110.878 163.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -110.35 150.91 28.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.551 1.14 . . . . 0.0 110.322 169.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.12 139.64 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 110.933 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.93 124.02 49.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.92 1.688 . . . . 0.0 110.875 -177.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -76.98 177.63 7.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.892 1.277 . . . . 0.0 111.318 178.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.38 -16.03 61.35 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -88.66 1.64 54.69 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.183 0.901 . . . . 0.0 112.837 171.083 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.47 4.98 88.99 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.145 1.355 . . . . 0.0 114.68 -168.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.85 120.03 17.91 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.575 1.188 . . . . 0.0 108.728 -178.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.44 132.94 48.14 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.524 0.678 . . . . 0.0 111.915 -179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.88 160.46 31.75 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.523 1.529 . . . . 0.0 111.556 177.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -109.88 133.09 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.869 1.267 . . . . 0.0 110.918 -177.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.56 110.02 34.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 124.408 1.083 . . . . 0.0 109.88 178.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.41 118.46 3.93 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.374 2.716 . . . . 0.0 111.053 172.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -98.98 143.2 29.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.559 1.944 . . . . 0.0 111.438 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 157.11 26.92 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.375 -0.828 . . . . 0.0 110.972 174.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.04 -20.01 55.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.432 1.093 . . . . 0.0 113.67 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.87 -11.38 60.12 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.525 1.13 . . . . 0.0 113.311 173.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.41 161.97 18.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.738 2.015 . . . . 0.0 112.459 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.91 138.98 48.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.805 1.242 . . . . 0.0 111.357 174.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.61 110.16 2.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 127.637 2.375 . . . . 0.0 111.877 -173.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.37 153.21 66.28 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.388 2.725 . . . . 0.0 111.193 168.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.3 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.847 1.213 . . . . 0.0 115.238 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.3 p -142.72 160.11 40.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.337 1.068 . . . . 0.0 113.171 174.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -157.32 148.09 21.39 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.293 1.437 . . . . 0.0 112.246 -178.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 126.89 31.03 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.893 -1.129 . . . . 0.0 111.846 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.0 m -92.75 162.89 13.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.532 1.133 . . . . 0.0 112.578 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -67.35 -15.23 63.57 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -177.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.26 -17.14 64.67 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.141 0.976 . . . . 0.0 112.765 169.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.85 60.71 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.553 1.549 . . . . 0.0 113.63 -175.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.7 tpt -112.18 147.64 35.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.007 1.323 . . . . 0.0 111.397 177.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.14 110.01 2.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.981 0.913 . . . . 0.0 110.965 172.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.4 147.84 20.94 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.475 1.036 . . . . 0.0 112.533 176.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.0 m -107.08 139.8 40.91 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.8 -0.823 . . . . 0.0 111.686 173.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.0 tp . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.634 -176.785 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.475 0 CA-C-O 121.512 0.672 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 110.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.489 1.116 . . . . 0.0 108.946 176.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 159.11 15.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 111.386 162.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -110.17 150.47 28.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.73 1.212 . . . . 0.0 110.328 167.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -139.38 140.83 37.56 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.339 1.056 . . . . 0.0 111.189 175.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -108.23 126.99 53.44 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.574 1.55 . . . . 0.0 111.722 -177.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -78.3 176.56 9.18 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.746 1.218 . . . . 0.0 111.246 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -79.42 -11.7 59.91 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.347 -0.845 . . . . 0.0 112.477 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -96.25 11.42 34.59 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.308 1.843 . . . . 0.0 111.549 175.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.16 89.11 Favored Glycine 0 N--CA 1.471 1.028 0 C-N-CA 126.552 2.025 . . . . 0.0 115.076 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.79 120.16 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.779 0.832 . . . . 0.0 110.818 -165.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.42 128.32 49.06 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.452 0.701 . . . . 0.0 111.565 -175.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.09 162.44 26.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.814 1.645 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -109.86 136.91 48.41 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.6 1.16 . . . . 0.0 111.178 -177.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -124.12 108.16 30.06 Favored Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 124.262 1.025 . . . . 0.0 109.992 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.09 118.4 4.03 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.341 2.694 . . . . 0.0 111.008 171.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.91 139.97 34.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.237 1.415 . . . . 0.0 111.282 173.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.34 160.88 22.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.89 0.876 . . . . 0.0 111.488 176.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.28 -21.35 48.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.093 1.357 . . . . 0.0 114.064 -176.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.42 -11.2 59.92 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.79 26.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.863 2.065 . . . . 0.0 112.553 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -136.17 145.6 45.95 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 112.154 174.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -57.95 110.1 2.28 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 128.263 2.625 . . . . 0.0 112.306 -168.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.83 150.61 44.56 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.306 2.671 . . . . 0.0 110.946 166.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.98 -29.89 15.08 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.826 1.679 . . . . 0.0 115.248 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.02 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.099 0.95 . . . . 0.0 112.801 172.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -157.46 148.04 21.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.158 1.383 . . . . 0.0 112.249 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 126.33 29.38 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.822 -1.174 . . . . 0.0 112.003 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.99 164.22 13.17 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 112.824 -178.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -68.43 -14.67 63.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -176.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -68.63 -17.07 64.04 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 121.638 0.733 . . . . 0.0 112.62 168.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.51 13.5 56.94 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.559 1.552 . . . . 0.0 113.779 -177.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 tpt -111.36 149.01 31.77 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.799 1.64 . . . . 0.0 111.285 176.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.12 109.89 2.77 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.528 0.731 . . . . 0.0 110.053 171.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.55 148.56 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.69 1.138 . . . . 0.0 112.25 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.1 m -106.26 140.2 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.724 -0.868 . . . . 0.0 111.369 172.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.426 1.49 . . . . 0.0 112.725 -178.083 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.255 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.12 101.82 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 123.88 0.872 . . . . 0.0 108.948 173.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.33 145.08 29.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.765 0.826 . . . . 0.0 111.634 176.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -101.03 151.14 22.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.193 0.997 . . . . 0.0 112.354 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.33 142.82 31.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.11 0.964 . . . . 0.0 111.566 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -109.39 126.28 53.27 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.115 1.766 . . . . 0.0 111.523 -179.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 p -77.15 176.22 8.92 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.919 1.288 . . . . 0.0 111.28 178.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.94 -11.62 60.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.374 -0.829 . . . . 0.0 112.468 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -96.2 11.44 34.42 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.126 1.77 . . . . 0.0 111.535 175.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.91 1.39 90.25 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 126.345 1.926 . . . . 0.0 114.941 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.53 120.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.732 0.766 . . . . 0.0 110.188 -167.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -102.52 127.87 49.4 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 111.391 -175.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -125.94 163.39 23.09 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.63 1.572 . . . . 0.0 111.73 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -111.19 131.94 54.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.221 1.408 . . . . 0.0 110.068 177.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.0 t -115.36 110.14 45.52 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.965 1.706 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.89 129.37 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.185 2.59 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.01 142.76 48.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.077 1.751 . . . . 0.0 111.028 174.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.05 159.19 20.26 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.035 -1.04 . . . . 0.0 111.466 176.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.91 -19.96 61.33 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.58 -13.92 61.1 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.838 1.255 . . . . 0.0 113.426 171.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.73 5.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.101 2.161 . . . . 0.0 112.619 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.75 167.15 21.05 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.003 1.721 . . . . 0.0 111.504 173.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 mm -91.7 109.38 36.31 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 126.501 1.92 . . . . 0.0 109.493 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.86 152.04 57.56 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.367 2.711 . . . . 0.0 110.749 168.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.85 15.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.648 1.594 . . . . 0.0 115.102 179.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -140.0 159.35 42.37 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.226 1.013 . . . . 0.0 112.516 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -157.76 148.02 20.6 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.26 1.424 . . . . 0.0 112.298 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 124.95 25.23 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.826 -1.171 . . . . 0.0 111.822 -179.052 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.75 165.09 12.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.043 1.337 . . . . 0.0 113.018 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -68.65 -13.86 62.64 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -69.12 -17.13 63.81 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 118.855 0.752 . . . . 0.0 112.539 168.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.48 49.85 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.484 1.516 . . . . 0.0 113.879 -176.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.1 tpt -115.89 149.85 38.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.669 1.587 . . . . 0.0 111.514 176.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.79 110.03 2.68 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.684 0.794 . . . . 0.0 110.173 171.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.69 148.6 22.81 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.512 1.053 . . . . 0.0 112.212 175.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 m -106.41 137.93 43.5 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.744 -0.857 . . . . 0.0 111.691 173.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.545 0.78 0 C-N-CA 125.752 1.621 . . . . 0.0 111.917 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 109.144 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.24 108.33 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 154.37 17.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.298 1.039 . . . . 0.0 110.282 164.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -104.29 153.35 21.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.87 0.868 . . . . 0.0 110.358 169.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -139.32 138.16 36.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.581 1.153 . . . . 0.0 111.142 172.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 ttp85 -104.25 125.72 50.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -178.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.2 p -79.68 177.97 8.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.734 1.214 . . . . 0.0 111.761 178.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.46 -16.45 61.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -178.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.04 1.79 55.93 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.2 0.909 . . . . 0.0 112.871 171.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.09 88.8 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.931 1.253 . . . . 0.0 114.625 -168.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.26 120.0 18.27 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.541 1.171 . . . . 0.0 108.567 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.34 132.58 48.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.496 0.665 . . . . 0.0 111.6 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.43 159.97 30.59 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.625 1.57 . . . . 0.0 111.27 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.17 127.59 55.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.435 1.094 . . . . 0.0 110.414 -175.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -117.37 109.45 42.14 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 124.728 1.211 . . . . 0.0 109.432 -177.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.73 118.39 4.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.604 2.203 . . . . 0.0 110.923 172.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -98.05 143.38 28.66 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.827 1.651 . . . . 0.0 110.635 172.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.62 28.22 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.317 -0.865 . . . . 0.0 109.912 173.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -19.81 58.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.92 -15.14 62.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.256 1.022 . . . . 0.0 112.926 172.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.73 171.16 7.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.837 2.055 . . . . 0.0 112.17 176.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.12 148.63 43.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.745 1.618 . . . . 0.0 111.362 173.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -66.39 110.1 4.31 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 128.351 2.66 . . . . 0.0 111.652 -173.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.75 150.33 55.95 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.389 2.726 . . . . 0.0 110.914 167.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -29.95 14.86 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.697 1.618 . . . . 0.0 115.485 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -140.0 159.74 41.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.248 1.024 . . . . 0.0 112.506 171.065 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.82 148.06 23.58 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.326 1.45 . . . . 0.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 125.97 28.32 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.893 -1.13 . . . . 0.0 111.446 -179.411 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.2 m -92.55 161.94 14.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.448 1.099 . . . . 0.0 112.769 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -70.32 -10.78 59.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -175.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.78 -17.11 63.98 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.191 0.996 . . . . 0.0 112.663 167.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 12.73 61.51 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.418 1.485 . . . . 0.0 113.684 -174.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.5 tpp -112.75 146.87 38.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.556 1.542 . . . . 0.0 111.306 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.02 110.14 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.134 0.974 . . . . 0.0 110.241 175.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.87 148.56 20.38 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.461 1.029 . . . . 0.0 113.091 178.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -110.36 138.11 47.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.851 0.86 . . . . 0.0 112.036 175.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 126.072 1.749 . . . . 0.0 111.896 -170.584 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -87.89 107.45 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 173.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.96 166.1 11.77 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.929 0.892 . . . . 0.0 111.237 170.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.32 154.21 31.64 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.717 1.207 . . . . 0.0 110.76 169.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -141.79 141.67 33.19 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.863 1.265 . . . . 0.0 111.085 174.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -107.38 125.19 50.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.583 1.953 . . . . 0.0 110.666 -178.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -80.43 178.33 8.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.796 1.239 . . . . 0.0 111.82 -178.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.87 -16.55 61.58 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.58 2.16 56.08 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.173 0.897 . . . . 0.0 112.747 171.287 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.67 8.63 87.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.882 1.229 . . . . 0.0 114.614 -168.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.7 119.89 19.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.794 1.297 . . . . 0.0 108.265 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -102.54 132.78 48.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.219 0.608 . . . . 0.0 111.677 -178.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.0 163.15 27.09 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.236 1.414 . . . . 0.0 112.259 178.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.96 134.24 52.32 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.449 1.499 . . . . 0.0 110.892 -178.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.2 110.01 29.06 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.921 1.289 . . . . 0.0 110.736 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.14 130.08 18.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.354 3.369 . . . . 0.0 112.167 168.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.66 142.54 47.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.617 1.967 . . . . 0.0 111.251 171.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.5 157.12 24.96 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.239 -0.913 . . . . 0.0 110.799 174.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.24 -19.9 56.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.392 1.077 . . . . 0.0 113.836 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.92 -13.39 61.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.6 1.16 . . . . 0.0 113.215 172.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.61 162.12 18.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.03 2.132 . . . . 0.0 112.213 177.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -131.84 141.44 49.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.303 . . . . 0.0 111.064 172.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.34 110.09 2.22 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 127.789 2.436 . . . . 0.0 111.182 -173.238 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.46 149.83 56.83 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.269 2.646 . . . . 0.0 110.49 170.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.97 -29.97 15.17 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.503 1.525 . . . . 0.0 115.202 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 p -139.98 159.9 41.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.174 0.987 . . . . 0.0 112.257 170.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -157.16 148.03 21.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.626 1.57 . . . . 0.0 111.715 -178.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 125.03 25.31 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.958 -1.089 . . . . 0.0 111.635 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.63 165.51 14.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.371 1.069 . . . . 0.0 112.535 -179.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -67.14 -16.56 64.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.284 1.034 . . . . 0.0 113.65 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.03 -17.17 63.86 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.191 1.396 . . . . 0.0 113.388 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 11.6 63.21 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.839 1.209 . . . . 0.0 113.687 -173.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -111.15 147.1 35.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.741 1.616 . . . . 0.0 110.958 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.24 110.02 3.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.668 0.787 . . . . 0.0 110.33 175.099 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.06 149.14 21.92 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.543 1.068 . . . . 0.0 112.924 176.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 m -108.46 137.94 45.59 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.941 0.896 . . . . 0.0 111.776 174.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 125.912 1.685 . . . . 0.0 111.001 -174.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.609 0.719 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 108.84 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.102 0.961 . . . . 0.0 108.536 175.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.93 13.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 111.116 167.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.08 149.88 32.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.958 1.303 . . . . 0.0 110.64 170.299 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.83 140.89 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.02 0.928 . . . . 0.0 111.012 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -108.1 124.17 49.82 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.228 1.811 . . . . 0.0 111.204 -178.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -77.3 177.65 7.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.042 1.337 . . . . 0.0 111.353 178.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.4 -15.44 61.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.42 0.66 56.0 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.151 0.887 . . . . 0.0 112.739 170.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.93 4.79 88.39 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.224 1.392 . . . . 0.0 114.701 -168.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.68 120.03 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.7 1.25 . . . . 0.0 109.051 -178.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -102.37 134.39 45.75 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.646 0.736 . . . . 0.0 112.324 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.08 159.96 35.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.838 1.655 . . . . 0.0 111.715 178.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -112.44 128.95 56.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.439 1.496 . . . . 0.0 111.035 -174.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.54 110.0 32.37 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.549 1.14 . . . . 0.0 110.86 -177.185 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.67 123.55 8.13 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.035 3.157 . . . . 0.0 111.879 169.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.02 140.39 39.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.426 1.89 . . . . 0.0 111.395 171.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.86 160.12 24.85 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.41 -0.806 . . . . 0.0 111.182 175.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.38 -20.04 58.04 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.464 1.106 . . . . 0.0 113.57 178.417 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.95 -13.82 61.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.064 1.346 . . . . 0.0 113.471 172.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.34 160.67 22.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.716 2.007 . . . . 0.0 112.511 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -130.91 140.28 50.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.971 1.308 . . . . 0.0 111.177 172.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.4 mm -55.34 110.07 2.0 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 127.981 2.512 . . . . 0.0 111.872 -173.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.13 149.65 52.48 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.353 2.702 . . . . 0.0 110.715 168.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.89 15.82 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.665 1.602 . . . . 0.0 115.131 179.262 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.6 p -139.91 160.36 40.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.056 0.928 . . . . 0.0 112.853 171.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.05 146.81 22.0 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.074 1.35 . . . . 0.0 112.251 -179.132 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 125.55 27.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.764 -1.21 . . . . 0.0 111.596 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -96.59 163.23 13.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.802 1.241 . . . . 0.0 113.069 -177.038 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -68.47 -13.48 62.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -174.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.11 -17.05 64.7 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.999 0.92 . . . . 0.0 112.723 168.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.65 13.48 59.53 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.558 1.551 . . . . 0.0 113.728 -174.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.8 tpt -115.54 148.99 38.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.207 1.403 . . . . 0.0 111.521 178.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.66 110.04 2.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.82 0.848 . . . . 0.0 110.131 172.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.27 146.48 21.85 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.477 1.037 . . . . 0.0 112.158 175.21 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -105.72 140.02 39.41 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.852 -0.793 . . . . 0.0 111.584 173.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 125.309 1.443 . . . . 0.0 112.665 -177.539 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 mm -87.59 107.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 163.09 13.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.569 0.748 . . . . 0.0 110.97 170.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -120.11 148.85 43.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.949 1.3 . . . . 0.0 110.766 174.331 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -140.07 143.56 36.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.96 0.904 . . . . 0.0 111.843 176.636 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -109.25 125.25 52.08 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.88 2.072 . . . . 0.0 111.052 -178.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p -78.13 177.18 8.56 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.141 1.376 . . . . 0.0 111.401 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.07 -11.15 59.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.428 -0.795 . . . . 0.0 112.598 -178.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.47 11.83 37.01 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.431 1.892 . . . . 0.0 111.553 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.95 1.63 89.91 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.479 1.99 . . . . 0.0 115.151 -178.232 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.8 120.12 25.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.542 0.671 . . . . 0.0 110.21 -167.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -102.46 127.58 49.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.349 0.659 . . . . 0.0 111.684 -176.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -126.78 163.68 23.02 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.966 1.706 . . . . 0.0 111.651 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -109.92 138.26 46.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -126.49 110.04 23.27 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 125.077 1.351 . . . . 0.0 110.211 177.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -71.11 130.02 17.05 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.231 3.287 . . . . 0.0 111.759 169.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -117.26 142.31 47.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.518 1.927 . . . . 0.0 111.31 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.44 159.3 21.79 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 178.031 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.27 -20.38 58.79 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 176.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.74 -11.86 60.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.41 172.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.95 174.06 6.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.16 2.184 . . . . 0.0 112.753 -177.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -132.55 167.12 20.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.208 1.803 . . . . 0.0 111.102 171.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.0 mm -88.51 109.99 33.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 126.839 2.056 . . . . 0.0 109.431 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.38 151.92 60.21 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.564 2.842 . . . . 0.0 110.609 168.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.95 15.62 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.388 1.47 . . . . 0.0 115.075 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.3 p -140.07 160.09 40.73 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.286 1.043 . . . . 0.0 112.472 171.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.14 148.2 20.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.483 1.513 . . . . 0.0 111.994 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 125.79 27.39 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.828 -1.17 . . . . 0.0 111.984 -179.318 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.8 m -93.69 164.58 13.09 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.613 1.165 . . . . 0.0 112.701 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -67.65 -14.89 63.33 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -176.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.32 -17.11 63.68 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 118.792 0.724 . . . . 0.0 112.766 169.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.05 14.25 56.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.489 1.519 . . . . 0.0 113.965 -177.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.3 tpp -111.74 147.89 34.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.147 1.779 . . . . 0.0 110.779 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.52 110.03 4.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.667 -0.646 . . . . 0.0 109.996 172.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.28 149.35 27.59 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.233 0.92 . . . . 0.0 112.312 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 m -103.9 139.01 39.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.766 0.826 . . . . 0.0 111.445 172.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 125.259 1.423 . . . . 0.0 110.722 -176.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 CA-C-O 121.043 0.449 . . . . 0.0 109.792 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 109.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 121.065 -1.022 . . . . 0.0 108.254 170.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 154.4 17.33 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.229 1.012 . . . . 0.0 110.34 164.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -104.6 153.91 20.61 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.829 0.852 . . . . 0.0 110.218 168.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -140.3 139.25 35.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.603 1.161 . . . . 0.0 111.491 173.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.47 124.52 49.73 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.022 1.729 . . . . 0.0 111.363 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 177.07 8.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.626 1.17 . . . . 0.0 111.681 179.05 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.52 -14.96 61.31 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.19 0.41 56.11 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 119.141 0.882 . . . . 0.0 112.752 170.298 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.62 4.02 87.87 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.262 1.41 . . . . 0.0 114.766 -168.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.94 120.03 17.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.686 1.243 . . . . 0.0 109.126 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.35 132.72 48.15 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.538 0.685 . . . . 0.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.2 159.93 34.52 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.555 1.542 . . . . 0.0 111.718 178.567 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -110.01 131.62 54.9 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.827 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.44 108.83 31.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 110.198 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -75.18 123.21 7.62 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.662 2.908 . . . . 0.0 111.473 170.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.13 143.61 33.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.597 1.959 . . . . 0.0 111.061 171.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 159.39 21.66 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.386 -0.821 . . . . 0.0 111.009 174.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.54 -19.93 58.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.58 1.152 . . . . 0.0 113.581 178.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -72.01 -13.38 61.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.943 1.297 . . . . 0.0 113.333 172.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.24 167.53 11.77 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.137 2.175 . . . . 0.0 112.289 178.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.92 148.79 47.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.839 1.256 . . . . 0.0 111.716 170.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.21 110.13 3.23 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 128.224 2.61 . . . . 0.0 111.491 -172.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.6 149.81 55.99 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.266 2.644 . . . . 0.0 110.715 168.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.82 15.51 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.631 1.586 . . . . 0.0 115.458 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.0 p -140.13 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.16 0.98 . . . . 0.0 112.399 171.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.97 148.04 23.34 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.331 1.452 . . . . 0.0 112.067 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 125.12 26.23 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.053 -1.029 . . . . 0.0 111.589 -177.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.6 m -95.41 163.7 13.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.927 1.291 . . . . 0.0 113.111 -177.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -71.05 -11.02 60.73 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.83 -17.14 64.41 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.146 0.979 . . . . 0.0 112.568 166.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.13 16.09 54.57 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.481 1.515 . . . . 0.0 113.759 -175.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.83 149.34 41.69 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.147 1.379 . . . . 0.0 111.659 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -63.77 110.02 1.92 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.991 0.916 . . . . 0.0 110.261 171.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.97 148.18 21.42 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.59 1.091 . . . . 0.0 112.331 175.276 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -108.26 138.0 45.28 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.605 -0.938 . . . . 0.0 112.142 175.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 126.082 1.753 . . . . 0.0 111.839 -171.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.92 0.867 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -83.45 107.27 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.141 0.976 . . . . 0.0 108.641 174.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 162.48 13.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.81 1.244 . . . . 0.0 111.231 168.122 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -113.51 147.75 37.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.141 1.376 . . . . 0.0 110.529 171.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -138.65 142.47 39.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.149 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -110.03 125.06 52.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 111.002 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.22 178.82 7.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.329 1.451 . . . . 0.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.42 -16.34 61.83 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.12 3.15 55.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.164 0.893 . . . . 0.0 112.951 171.34 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.16 6.63 89.24 Favored Glycine 0 N--CA 1.47 0.939 0 C-N-CA 124.995 1.284 . . . . 0.0 114.634 -168.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.57 120.14 17.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.433 1.117 . . . . 0.0 108.385 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -102.46 131.71 48.95 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.106 0.562 . . . . 0.0 111.409 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -127.21 164.15 22.33 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.654 1.582 . . . . 0.0 111.831 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.28 136.5 50.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.413 1.085 . . . . 0.0 110.827 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.67 110.06 33.89 Favored Pre-proline 0 N--CA 1.471 0.589 0 C-N-CA 125.036 1.334 . . . . 0.0 110.118 179.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.0 119.4 5.07 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.514 2.81 . . . . 0.0 111.453 172.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -102.11 139.98 37.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.555 1.542 . . . . 0.0 111.155 172.231 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 163.61 24.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.578 0.751 . . . . 0.0 112.283 -176.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -50.56 -26.51 5.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.62 1.568 . . . . 0.0 113.961 172.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.24 -11.86 59.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.648 1.579 . . . . 0.0 113.917 178.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.43 158.7 33.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.782 1.633 . . . . 0.0 113.324 -173.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.75 149.14 52.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.183 1.393 . . . . 0.0 111.902 177.398 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.9 mm -65.04 110.16 3.84 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 128.727 2.811 . . . . 0.0 112.607 -170.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.98 150.45 48.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.654 2.902 . . . . 0.0 111.127 166.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.97 15.1 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.855 1.693 . . . . 0.0 115.494 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.0 p -139.94 159.43 42.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.123 0.969 . . . . 0.0 112.656 172.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.23 148.03 19.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.128 1.371 . . . . 0.0 112.326 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 125.45 26.67 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.794 -1.191 . . . . 0.0 111.94 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -89.53 165.19 14.44 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.498 1.119 . . . . 0.0 112.495 -179.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -67.74 -16.1 63.96 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.25 -17.04 63.72 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.161 1.384 . . . . 0.0 113.247 170.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.93 12.68 61.78 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.035 1.302 . . . . 0.0 113.696 -174.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.3 tpp -112.08 146.2 38.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.594 1.558 . . . . 0.0 110.937 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.32 110.03 3.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.664 0.785 . . . . 0.0 110.475 175.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.53 149.59 22.75 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.382 0.991 . . . . 0.0 113.053 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -107.31 140.63 39.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.91 0.884 . . . . 0.0 111.34 172.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 125.395 1.478 . . . . 0.0 113.142 -176.741 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.427 0 CA-C-O 121.064 0.459 . . . . 0.0 110.181 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 mm -88.63 110.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 124.266 1.026 . . . . 0.0 109.13 169.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.91 154.41 17.32 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.424 0.631 . . . . 0.0 110.367 162.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -108.19 151.53 25.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.086 0.954 . . . . 0.0 109.594 167.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.58 137.78 38.89 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.878 0.871 . . . . 0.0 111.002 173.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -104.18 125.43 50.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 110.965 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -77.91 176.71 8.85 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.786 1.234 . . . . 0.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.36 -12.13 59.99 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.339 -0.851 . . . . 0.0 112.463 -178.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.96 11.53 33.61 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.105 1.762 . . . . 0.0 111.711 175.067 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.77 0.55 89.51 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 126.427 1.965 . . . . 0.0 115.087 -178.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.83 120.1 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.261 0.624 . . . . 0.0 110.072 -167.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -102.42 130.46 49.2 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.706 0.765 . . . . 0.0 112.071 -177.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -129.95 160.21 34.29 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.379 1.471 . . . . 0.0 111.677 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.99 132.79 53.84 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.474 1.11 . . . . 0.0 110.723 -173.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 t -120.11 109.57 37.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.121 0.968 . . . . 0.0 109.123 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.16 128.33 10.51 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.027 2.484 . . . . 0.0 110.736 173.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -116.07 143.92 44.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.817 1.647 . . . . 0.0 110.807 175.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 159.82 19.25 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.246 -0.909 . . . . 0.0 111.024 173.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.73 -20.0 60.21 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.579 1.151 . . . . 0.0 113.523 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -13.76 61.74 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.834 1.254 . . . . 0.0 113.356 172.276 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.41 162.67 17.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.739 2.016 . . . . 0.0 112.456 178.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.32 139.43 48.18 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.863 1.265 . . . . 0.0 111.362 173.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -59.14 110.2 2.49 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 128.244 2.617 . . . . 0.0 111.932 -174.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.4 149.93 51.35 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.376 2.717 . . . . 0.0 110.941 168.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -30.01 15.67 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.681 1.61 . . . . 0.0 115.589 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -139.92 160.4 40.0 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.235 1.017 . . . . 0.0 112.369 171.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -157.52 148.09 21.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.135 1.374 . . . . 0.0 112.368 -178.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 125.89 27.79 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.875 -1.141 . . . . 0.0 111.736 -178.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.7 m -94.38 165.57 12.5 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.886 1.275 . . . . 0.0 113.113 -178.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -66.47 -20.01 65.94 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -69.08 -17.11 63.83 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.632 0.773 . . . . 0.0 112.895 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.65 13.91 54.18 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.633 1.587 . . . . 0.0 114.012 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 tpt -110.74 148.54 32.1 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.894 1.678 . . . . 0.0 110.855 175.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.58 110.06 3.53 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.608 -0.682 . . . . 0.0 109.833 171.459 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.51 26.53 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.598 1.094 . . . . 0.0 112.305 176.095 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.1 m -106.25 138.2 42.85 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.93 -0.747 . . . . 0.0 111.867 174.094 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 125.624 1.57 . . . . 0.0 115.025 -175.297 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 121.487 0.66 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.38 108.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 155.3 16.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.229 1.012 . . . . 0.0 110.436 164.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -105.61 151.73 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.978 0.911 . . . . 0.0 110.489 168.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.3 137.76 37.74 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.299 1.039 . . . . 0.0 111.445 173.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -104.82 124.09 48.83 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.819 1.647 . . . . 0.0 111.259 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.77 177.89 7.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.09 1.356 . . . . 0.0 111.697 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.17 -16.03 61.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.77 2.54 55.94 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.232 0.924 . . . . 0.0 112.899 171.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.04 88.68 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 125.14 1.352 . . . . 0.0 114.753 -169.272 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.87 120.05 18.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.515 1.157 . . . . 0.0 108.841 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -102.42 132.24 48.56 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.479 0.656 . . . . 0.0 112.35 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.07 160.9 32.3 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -109.96 133.28 53.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.721 1.208 . . . . 0.0 110.998 -176.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 t -121.12 109.84 35.04 Favored Pre-proline 0 N--CA 1.47 0.526 0 C-N-CA 124.376 1.071 . . . . 0.0 109.456 178.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.5 118.42 3.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.218 2.612 . . . . 0.0 111.13 173.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -101.39 141.38 34.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.888 1.675 . . . . 0.0 111.271 174.307 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.74 26.51 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.375 -0.828 . . . . 0.0 111.028 174.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.34 -19.97 50.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.823 1.249 . . . . 0.0 113.749 178.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.08 -12.57 61.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.872 1.269 . . . . 0.0 113.369 172.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.83 160.84 23.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.812 2.045 . . . . 0.0 112.665 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.08 141.04 50.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.06 1.344 . . . . 0.0 111.304 174.01 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -57.3 110.07 2.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 128.205 2.602 . . . . 0.0 111.677 -173.723 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.66 150.05 49.99 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.325 2.683 . . . . 0.0 110.689 168.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.95 -29.91 14.96 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.552 -179.184 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -140.33 159.76 41.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.295 1.048 . . . . 0.0 112.329 171.343 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -156.97 148.0 21.87 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.294 1.438 . . . . 0.0 112.058 -179.02 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 125.12 25.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.976 -1.078 . . . . 0.0 111.636 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.6 m -92.04 165.08 13.37 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.486 1.115 . . . . 0.0 112.736 -178.689 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -64.77 -19.47 65.83 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.06 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -67.74 -17.03 64.41 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.896 1.278 . . . . 0.0 113.0 172.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.86 13.44 60.84 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.243 1.402 . . . . 0.0 113.758 -174.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -113.29 147.48 37.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.708 1.603 . . . . 0.0 111.158 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.71 109.97 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.654 0.782 . . . . 0.0 110.301 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.12 149.39 22.98 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.422 1.01 . . . . 0.0 112.81 176.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.9 m -109.09 137.89 46.29 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.941 0.897 . . . . 0.0 112.022 174.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.661 0 C-N-CA 126.188 1.795 . . . . 0.0 111.769 -171.033 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.54 0.686 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.64 107.85 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.465 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.54 14.28 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.544 1.138 . . . . 0.0 110.745 166.023 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -113.02 151.17 30.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.744 1.218 . . . . 0.0 110.855 172.176 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -141.23 142.1 33.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.322 1.049 . . . . 0.0 111.689 175.76 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -109.97 124.26 51.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.973 2.109 . . . . 0.0 110.813 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -80.96 179.03 8.04 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.11 1.364 . . . . 0.0 111.633 -177.302 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.81 -16.4 62.17 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.38 3.09 55.76 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.162 0.892 . . . . 0.0 112.814 170.867 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 8.8 87.22 Favored Glycine 0 N--CA 1.469 0.899 0 C-N-CA 125.058 1.313 . . . . 0.0 114.884 -168.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.37 120.0 19.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.564 1.182 . . . . 0.0 108.666 -179.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.56 129.95 49.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.749 0.819 . . . . 0.0 112.078 -177.381 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -128.97 162.7 26.99 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.468 1.507 . . . . 0.0 112.045 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mp0 -109.92 133.95 52.62 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.682 1.193 . . . . 0.0 111.144 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.19 110.09 34.73 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.674 1.19 . . . . 0.0 109.892 178.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.91 120.12 4.96 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.53 2.82 . . . . 0.0 111.739 172.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -103.0 141.93 34.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.262 1.825 . . . . 0.0 111.554 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.56 158.68 25.69 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.403 -0.811 . . . . 0.0 111.241 175.33 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.65 -19.95 52.78 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.844 1.258 . . . . 0.0 113.758 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.98 -13.4 61.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.817 1.247 . . . . 0.0 113.353 172.281 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.83 161.79 20.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.717 2.007 . . . . 0.0 112.824 -178.302 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.13 143.14 50.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.16 1.384 . . . . 0.0 111.334 173.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.44 110.17 2.67 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 128.142 2.577 . . . . 0.0 111.488 -172.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -69.59 152.75 70.22 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.354 2.703 . . . . 0.0 111.024 168.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.86 15.66 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.802 1.191 . . . . 0.0 115.193 177.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 p -142.12 159.79 41.53 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.255 1.028 . . . . 0.0 112.886 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -157.93 148.03 20.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.227 1.411 . . . . 0.0 112.514 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 125.16 25.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.856 -1.153 . . . . 0.0 111.808 -179.694 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.97 165.73 13.06 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 -177.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -64.28 -20.31 65.98 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.042 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.17 -17.16 64.72 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.806 1.242 . . . . 0.0 113.123 173.254 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 14.48 59.13 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.194 1.378 . . . . 0.0 113.581 -174.493 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -115.07 147.54 40.04 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 111.325 178.047 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.47 110.01 3.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 110.431 174.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 148.67 21.14 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.487 1.041 . . . . 0.0 112.94 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.9 m -108.29 138.53 44.42 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.032 0.933 . . . . 0.0 111.758 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 C-N-CA 125.666 1.586 . . . . 0.0 111.927 -172.439 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.39 109.91 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 121.035 -1.041 . . . . 0.0 108.739 172.439 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 159.8 14.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.177 0.991 . . . . 0.0 110.991 166.493 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -111.91 149.35 32.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.869 1.268 . . . . 0.0 110.423 171.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -139.18 142.94 37.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.312 1.045 . . . . 0.0 110.911 176.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.9 125.8 53.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.319 1.847 . . . . 0.0 111.14 -178.379 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.2 p -79.45 177.89 8.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.821 1.248 . . . . 0.0 111.556 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.44 -15.97 61.82 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.164 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 1.81 55.39 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.138 0.881 . . . . 0.0 112.832 170.773 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.79 7.55 87.88 Favored Glycine 0 N--CA 1.469 0.863 0 C-N-CA 125.025 1.298 . . . . 0.0 114.644 -168.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.87 120.07 18.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.737 1.268 . . . . 0.0 108.787 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -102.51 129.92 49.19 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.479 0.712 . . . . 0.0 111.511 -176.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -126.8 162.72 25.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.991 1.716 . . . . 0.0 111.509 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.96 138.53 46.21 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.228 1.011 . . . . 0.0 110.684 177.337 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.1 t -123.53 110.04 30.44 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.725 1.21 . . . . 0.0 110.203 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.88 123.55 6.89 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.483 2.789 . . . . 0.0 111.703 173.067 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -108.46 143.3 37.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.393 1.877 . . . . 0.0 111.181 173.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 159.27 20.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.915 172.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.41 -19.89 57.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.49 1.116 . . . . 0.0 113.677 178.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -12.42 61.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.797 1.239 . . . . 0.0 113.288 172.206 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.62 162.54 18.22 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.837 2.055 . . . . 0.0 112.407 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -132.3 140.68 48.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.944 1.297 . . . . 0.0 111.259 173.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.1 mm -58.91 110.22 2.48 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 128.044 2.538 . . . . 0.0 111.79 -174.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.36 153.05 66.49 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.36 2.707 . . . . 0.0 111.184 168.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.94 15.62 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.893 1.235 . . . . 0.0 115.109 175.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.2 p -142.19 159.75 41.61 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.299 1.049 . . . . 0.0 113.276 174.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -157.02 147.91 21.72 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.914 1.286 . . . . 0.0 112.642 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 124.79 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.039 -1.038 . . . . 0.0 111.566 -178.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.24 163.5 13.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.741 1.216 . . . . 0.0 112.911 -177.571 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -69.1 -12.26 61.52 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -174.561 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.24 -17.12 64.22 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.199 1.0 . . . . 0.0 112.759 167.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.91 14.21 58.18 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.436 1.493 . . . . 0.0 113.743 -174.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -115.63 148.8 39.23 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 177.563 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -62.84 110.08 1.65 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.038 0.935 . . . . 0.0 110.285 171.14 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.46 146.74 21.03 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.205 0.907 . . . . 0.0 112.1 173.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.1 m -105.16 140.2 38.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.753 -0.851 . . . . 0.0 111.42 172.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 125.364 1.466 . . . . 0.0 112.22 -178.278 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.347 0 CA-C-O 121.608 0.718 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.76 107.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.327 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.96 13.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.321 1.048 . . . . 0.0 109.978 167.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -116.97 155.77 28.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.875 0.87 . . . . 0.0 110.172 168.108 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.106 0.962 . . . . 0.0 111.779 176.282 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -104.39 124.0 48.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.873 1.669 . . . . 0.0 111.753 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -77.36 177.79 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.29 1.436 . . . . 0.0 111.783 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.74 -16.23 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.683 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.82 1.5 55.17 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.082 0.856 . . . . 0.0 112.687 171.303 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.58 7.29 87.66 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.126 1.346 . . . . 0.0 114.723 -168.661 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.91 119.18 18.73 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.814 1.307 . . . . 0.0 108.627 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -102.56 130.89 49.55 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.555 0.742 . . . . 0.0 112.002 -177.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.0 163.29 26.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.568 1.547 . . . . 0.0 112.087 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.97 134.3 52.25 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.441 1.496 . . . . 0.0 110.108 -175.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.62 110.08 30.23 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 124.383 1.073 . . . . 0.0 109.798 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.32 124.67 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.647 2.898 . . . . 0.0 111.757 173.425 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -111.02 140.31 45.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.163 1.785 . . . . 0.0 111.96 176.247 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.32 160.94 25.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 0.0 111.547 175.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.91 -19.83 53.89 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.756 1.222 . . . . 0.0 113.747 178.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.03 -12.58 61.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.922 1.289 . . . . 0.0 113.211 173.003 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.53 159.86 29.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.487 1.915 . . . . 0.0 112.688 -179.188 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -132.0 136.97 47.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.143 1.377 . . . . 0.0 110.747 176.139 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.35 110.02 1.97 Allowed Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 127.502 2.321 . . . . 0.0 111.626 -171.348 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.3 149.28 56.87 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.213 2.608 . . . . 0.0 110.765 170.627 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.62 -29.94 12.86 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.615 1.579 . . . . 0.0 115.364 -179.359 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.9 p -139.99 159.74 41.49 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.216 1.008 . . . . 0.0 112.288 170.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.92 148.06 22.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.538 1.535 . . . . 0.0 112.097 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.71 123.98 22.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.913 -1.117 . . . . 0.0 111.73 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.07 166.46 13.41 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.64 1.176 . . . . 0.0 112.849 -178.266 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -67.93 -17.17 64.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.237 1.015 . . . . 0.0 113.707 -175.297 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.05 -17.1 63.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.091 1.356 . . . . 0.0 113.33 169.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.95 16.37 56.27 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.125 1.345 . . . . 0.0 113.89 -175.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -116.51 149.14 40.05 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.141 1.377 . . . . 0.0 111.369 176.515 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.84 110.01 3.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.604 0.762 . . . . 0.0 110.549 174.211 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.9 150.36 22.97 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.69 1.138 . . . . 0.0 112.921 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.2 m -108.71 137.81 46.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.837 0.855 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 126.333 1.853 . . . . 0.0 112.041 -169.708 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.455 0.645 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.37 108.44 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 173.464 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 160.02 14.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.645 1.178 . . . . 0.0 110.784 167.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.02 150.85 28.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.593 1.157 . . . . 0.0 110.698 170.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.51 142.64 37.26 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.443 1.097 . . . . 0.0 111.252 174.647 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -110.11 126.84 54.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 111.047 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.9 p -79.32 176.79 9.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 111.495 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -78.42 -11.61 59.96 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.47 -0.768 . . . . 0.0 112.468 -178.512 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -97.78 11.94 35.54 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.354 1.862 . . . . 0.0 111.631 175.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.38 1.17 89.96 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 126.388 1.947 . . . . 0.0 115.051 -178.159 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -84.81 120.1 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.584 0.692 . . . . 0.0 110.141 -167.216 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -102.46 129.0 48.83 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.387 0.675 . . . . 0.0 111.496 -174.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.98 162.67 28.14 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.575 1.55 . . . . 0.0 112.248 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -110.0 136.67 48.9 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.727 1.211 . . . . 0.0 112.081 -177.15 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.77 110.02 22.47 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.673 1.189 . . . . 0.0 110.669 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -73.9 126.22 10.5 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.933 3.089 . . . . 0.0 111.887 169.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.18 142.9 41.08 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.588 1.955 . . . . 0.0 111.315 171.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 158.01 22.11 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.414 -0.803 . . . . 0.0 111.375 175.576 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.01 -19.93 55.11 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.125 1.37 . . . . 0.0 113.825 -176.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.82 -12.28 60.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.84 160.5 16.7 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.91 2.084 . . . . 0.0 112.224 175.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.84 141.61 49.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.726 1.21 . . . . 0.0 111.104 172.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.89 110.12 2.19 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 127.889 2.475 . . . . 0.0 111.28 -173.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.59 150.14 56.58 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.318 2.679 . . . . 0.0 110.499 169.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.92 15.43 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.378 1.466 . . . . 0.0 115.229 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.96 159.6 41.81 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.196 0.998 . . . . 0.0 112.544 171.9 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.6 t-105 -157.13 148.04 21.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.393 1.477 . . . . 0.0 112.272 -179.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 125.33 26.1 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.869 -1.145 . . . . 0.0 111.815 -178.834 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.9 m -94.34 165.89 12.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.608 1.163 . . . . 0.0 113.013 -178.096 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -66.23 -18.89 65.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -68.69 -17.13 64.02 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.614 0.766 . . . . 0.0 112.825 171.701 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 13.99 57.99 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.478 1.513 . . . . 0.0 114.092 -176.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 tpp -110.86 144.77 39.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.374 1.869 . . . . 0.0 110.304 175.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -61.8 110.07 1.42 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.872 0.844 . . . . 0.0 110.965 169.111 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.05 148.75 23.48 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.656 1.122 . . . . 0.0 112.332 175.164 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.4 m -106.08 139.06 41.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 111.382 173.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 125.602 1.561 . . . . 0.0 111.062 -174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.34 168.54 20.24 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.35 1.46 . . . . 0.0 111.898 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.51 151.21 44.61 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.987 1.315 . . . . 0.0 111.594 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.39 -44.7 74.53 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.091 0.956 . . . . 0.0 112.266 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -131.0 149.98 52.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.407 2.283 . . . . 0.0 111.344 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -151.78 145.1 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.192 1.397 . . . . 0.0 111.463 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -123.55 124.38 42.7 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.075 1.35 . . . . 0.0 109.358 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -153.01 151.76 30.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.77 1.628 . . . . 0.0 111.826 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.19 172.48 27.25 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 124.436 1.017 . . . . 0.0 113.284 -167.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.0 m -136.04 28.34 3.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.294 2.638 . . . . 0.0 112.407 3.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -61.52 -30.9 70.92 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.172 1.389 . . . . 0.0 113.351 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -94.71 16.4 15.81 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.966 1.706 . . . . 0.0 112.439 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.19 -164.66 38.71 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.031 1.301 . . . . 0.0 113.168 -171.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.93 164.55 33.38 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.878 2.471 . . . . 0.0 112.053 1.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.33 154.38 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.602 1.161 . . . . 0.0 112.635 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -90.19 168.35 12.01 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.338 1.455 . . . . 0.0 112.533 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 46.5 p90 52.88 -177.51 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.749 2.42 . . . . 0.0 116.107 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.52 53.19 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.343 1.457 . . . . 0.0 112.374 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -77.92 142.27 38.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.358 1.063 . . . . 0.0 111.539 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -154.1 154.22 33.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.888 1.275 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -57.28 -22.89 44.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.5 -15.78 41.16 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.912 1.285 . . . . 0.0 113.799 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -68.46 -17.25 64.15 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.616 1.167 . . . . 0.0 113.693 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 58.89 -179.8 0.08 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.685 1.994 . . . . 0.0 114.329 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -120.59 149.18 42.86 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.966 1.706 . . . . 0.0 111.109 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.1 163.47 34.96 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 125.997 1.719 . . . . 0.0 111.495 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.95 114.02 1.67 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.294 3.329 . . . . 0.0 112.838 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -141.15 168.94 18.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.863 1.665 . . . . 0.0 114.419 -173.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.79 112.0 13.71 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 128.366 2.666 . . . . 0.0 109.037 176.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.9 mm -88.81 107.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.92 164.53 12.5 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.88 0.872 . . . . 0.0 111.291 170.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -116.27 152.95 32.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.986 1.314 . . . . 0.0 110.553 168.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -141.39 141.56 33.78 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.171 0.988 . . . . 0.0 111.646 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -108.06 122.99 48.01 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.11 1.764 . . . . 0.0 111.041 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -76.72 177.77 7.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.039 1.335 . . . . 0.0 111.668 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.45 -16.96 61.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -88.77 4.7 46.59 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 119.082 0.855 . . . . 0.0 112.515 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.27 2.16 90.54 Favored Glycine 0 N--CA 1.47 0.928 0 C-N-CA 124.777 1.18 . . . . 0.0 114.598 -170.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -71.69 120.11 16.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.196 0.998 . . . . 0.0 108.868 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -102.39 134.16 46.15 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.384 0.611 . . . . 0.0 111.373 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 94.2 m-85 -129.03 163.75 24.72 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.343 1.457 . . . . 0.0 111.585 177.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 135.86 50.14 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 110.869 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -124.39 110.03 28.66 Favored Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 124.928 1.291 . . . . 0.0 110.408 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -70.92 130.04 17.29 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 124.231 3.287 . . . . 0.0 111.587 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -115.93 141.97 47.4 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.239 1.815 . . . . 0.0 111.0 171.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.9 162.55 20.47 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.264 -0.897 . . . . 0.0 111.758 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -59.51 -20.63 56.85 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.254 1.022 . . . . 0.0 113.587 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.01 -11.22 60.67 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.868 1.267 . . . . 0.0 113.478 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -128.79 171.55 12.13 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.663 1.985 . . . . 0.0 113.177 -174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.09 171.13 13.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.697 1.999 . . . . 0.0 111.382 171.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -88.7 110.02 34.12 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 127.424 2.29 . . . . 0.0 109.928 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.26 151.53 60.58 Favored 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.575 2.85 . . . . 0.0 110.673 168.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -29.91 15.51 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.58 1.562 . . . . 0.0 115.149 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.7 p -139.98 159.43 42.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.319 1.059 . . . . 0.0 112.47 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.9 t-105 -157.68 148.03 20.74 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.635 1.574 . . . . 0.0 111.837 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.6 125.76 27.69 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.919 -1.113 . . . . 0.0 111.832 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.1 m -89.72 160.8 16.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.43 1.092 . . . . 0.0 112.215 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -66.41 -15.68 63.5 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.828 1.048 . . . . 0.0 113.828 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.0 -17.12 64.16 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 124.87 1.268 . . . . 0.0 112.824 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.45 11.64 60.64 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.491 1.519 . . . . 0.0 113.646 -175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -114.47 147.31 39.52 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.541 1.136 . . . . 0.0 111.836 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.45 110.03 2.15 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.058 0.943 . . . . 0.0 111.16 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.52 148.94 20.83 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.639 1.114 . . . . 0.0 112.604 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.0 m -107.5 138.82 43.02 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.709 -0.877 . . . . 0.0 111.659 174.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 121.74 12.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.596 1.559 . . . . 0.0 111.399 -173.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.486 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -128.98 154.06 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.97 1.708 . . . . 0.0 111.279 172.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.94 136.74 33.48 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.659 -0.651 . . . . 0.0 111.768 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.32 5.58 82.74 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.689 1.138 . . . . 0.0 114.91 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -148.62 169.15 21.0 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.516 2.326 . . . . 0.0 110.223 -174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.94 161.54 61.46 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 126.431 1.892 . . . . 0.0 114.72 -167.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -64.38 -47.17 6.27 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.881 2.387 . . . . 0.0 114.605 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -135.92 59.77 31.0 Favored Pre-proline 0 CA--C 1.556 1.206 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -63.5 -174.89 0.23 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.82 3.013 . . . . 0.0 112.885 146.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -72.63 98.63 2.38 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.141 -0.975 . . . . 0.0 109.609 162.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -148.02 138.2 22.74 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.913 1.685 . . . . 0.0 111.44 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.06 157.79 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.809 1.644 . . . . 0.0 111.857 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -69.5 -59.68 4.61 Favored Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.987 1.315 . . . . 0.0 113.596 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.47 154.21 60.86 Favored 'Trans proline' 0 CA--C 1.547 1.144 0 C-N-CA 122.834 2.356 . . . . 0.0 113.895 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.66 -28.51 6.5 Favored 'Cis proline' 0 CA--C 1.541 0.87 0 CA-C-N 119.05 0.697 . . . . 0.0 113.759 -1.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.425 1.89 . . . . 0.0 112.132 -174.727 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 77.8 mtm -98.4 -32.87 11.28 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 127.998 2.519 . . . . 0.0 113.121 -3.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.92 -43.62 44.23 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.584 0.753 . . . . 0.0 112.088 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -84.2 132.5 34.66 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.129 0.972 . . . . 0.0 110.548 170.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -108.22 154.1 22.25 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.54 1.536 . . . . 0.0 111.519 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 p -148.02 149.66 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.634 1.574 . . . . 0.0 110.932 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.43 40.48 0.72 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.187 1.395 . . . . 0.0 112.652 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 -138.16 160.05 40.43 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.787 2.035 . . . . 0.0 111.477 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.51 165.48 47.14 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.32 0.962 . . . . 0.0 113.998 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -146.91 157.5 43.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.283 1.433 . . . . 0.0 112.035 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -94.44 3.08 55.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.609 1.564 . . . . 0.0 113.564 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.36 107.9 10.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.174 0.99 . . . . 0.0 109.934 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.31 -52.04 2.18 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.597 1.57 . . . . 0.0 114.321 -177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.88 162.93 27.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.264 1.426 . . . . 0.0 112.466 173.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -132.16 155.82 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.707 1.603 . . . . 0.0 112.302 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 t -149.93 141.1 23.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.065 1.346 . . . . 0.0 111.322 175.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -152.65 160.65 43.16 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.353 1.461 . . . . 0.0 111.983 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.41 103.07 6.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.757 0.823 . . . . 0.0 110.849 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.3 m -77.41 134.83 38.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.116 0.966 . . . . 0.0 110.406 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -81.36 39.85 0.54 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.093 1.357 . . . . 0.0 113.671 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -67.81 121.28 15.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.65 1.18 . . . . 0.0 110.159 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -134.29 -1.26 2.91 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -167.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -97.2 19.63 12.73 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.41 1.884 . . . . 0.0 113.058 176.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.12 159.11 24.11 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.224 1.809 . . . . 0.0 113.969 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.652 HD23 ' H ' ' A' ' 25' ' ' LEU 0.263 2.2 pt? -79.71 69.95 6.12 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.919 1.687 . . . . 0.0 114.721 -171.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.34 71.13 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 126.078 1.751 . . . . 0.0 110.991 168.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -78.14 69.81 7.38 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 122.688 2.259 . . . . 0.0 114.546 -166.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -141.06 165.81 26.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.094 1.757 . . . . 0.0 113.292 171.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.64 109.61 9.31 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.232 2.213 . . . . 0.0 109.144 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.13 106.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 157.73 15.76 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.819 0.847 . . . . 0.0 110.634 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -112.72 149.73 32.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.631 1.172 . . . . 0.0 110.528 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -140.81 142.47 34.63 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.49 1.116 . . . . 0.0 111.559 175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -109.86 125.83 53.19 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.317 1.847 . . . . 0.0 111.13 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.1 p -79.41 178.54 8.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.048 1.339 . . . . 0.0 111.841 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.59 -16.58 61.73 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.75 2.71 54.51 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 119.15 0.886 . . . . 0.0 112.8 171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.3 7.49 88.32 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 125.064 1.316 . . . . 0.0 114.694 -168.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.02 119.98 18.98 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.601 1.2 . . . . 0.0 108.572 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -102.46 131.01 49.41 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.662 0.785 . . . . 0.0 111.587 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -130.03 163.78 25.75 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.443 1.497 . . . . 0.0 112.327 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -109.9 136.84 48.55 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.731 1.213 . . . . 0.0 111.917 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.2 t -125.51 110.02 25.98 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.403 1.481 . . . . 0.0 110.047 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -71.71 130.05 16.44 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.238 3.292 . . . . 0.0 111.97 170.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -116.9 144.04 44.99 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.437 1.895 . . . . 0.0 111.355 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.15 159.43 20.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.222 -0.923 . . . . 0.0 111.381 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -61.08 -19.95 62.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -72.26 -12.94 61.38 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.921 1.288 . . . . 0.0 113.433 171.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.5 172.88 7.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.13 2.172 . . . . 0.0 112.699 -177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -131.1 165.84 22.37 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.995 1.718 . . . . 0.0 110.766 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -87.2 110.03 30.17 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 127.374 2.27 . . . . 0.0 109.516 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -71.38 151.69 60.03 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.488 2.792 . . . . 0.0 110.512 168.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.8 15.56 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.392 1.472 . . . . 0.0 115.073 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.9 p -140.05 159.4 42.27 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.154 0.977 . . . . 0.0 112.579 171.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -157.75 148.09 20.68 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.615 1.566 . . . . 0.0 111.748 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 126.3 28.9 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.894 -1.129 . . . . 0.0 111.716 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 63.1 m -91.19 165.48 13.45 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.501 1.12 . . . . 0.0 112.658 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -68.03 -16.53 64.08 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.329 1.052 . . . . 0.0 113.818 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.77 -17.13 63.99 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.084 1.354 . . . . 0.0 113.254 169.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.27 60.92 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 125.116 1.341 . . . . 0.0 113.796 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.7 148.57 34.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.089 1.355 . . . . 0.0 111.233 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.04 110.05 3.24 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.808 0.843 . . . . 0.0 110.356 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.76 148.72 21.92 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.526 1.06 . . . . 0.0 112.775 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.4 m -106.88 138.49 42.95 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.861 0.864 . . . . 0.0 111.58 173.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 121.33 11.58 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.57 1.548 . . . . 0.0 111.055 -175.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.96 153.58 34.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.76 1.624 . . . . 0.0 112.092 176.261 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -71.89 138.14 47.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.45 0.7 . . . . 0.0 111.829 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 49.09 0.09 OUTLIER Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.547 0.594 . . . . 0.0 113.493 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -142.6 125.5 16.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.299 1.44 . . . . 0.0 110.492 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.16 146.12 34.57 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.777 1.631 . . . . 0.0 111.144 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -80.05 64.61 8.89 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 124.428 3.419 . . . . 0.0 111.759 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 37.03 69.19 1.37 Allowed Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.848 2.459 . . . . 0.0 114.828 -176.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -48.97 140.0 24.7 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 124.407 3.404 . . . . 0.0 114.967 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -147.05 163.05 37.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.025 1.73 . . . . 0.0 110.529 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 49.27 39.95 17.06 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.593 1.557 . . . . 0.0 113.087 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.294 31.2 m 46.66 35.1 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 127.493 2.317 . . . . 0.0 115.137 -173.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -127.3 104.19 22.35 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.363 1.465 . . . . 0.0 111.536 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -62.8 163.42 47.73 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 CA-C-N 119.319 0.793 . . . . 0.0 112.791 -15.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -66.8 -28.24 43.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.893 2.395 . . . . 0.0 115.076 -176.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.314 1.846 . . . . 0.0 111.48 -177.494 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.1 mtm -74.73 159.97 31.34 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.924 0.89 . . . . 0.0 112.642 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -132.19 164.93 25.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.215 1.806 . . . . 0.0 111.16 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 58.72 -169.88 0.13 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.609 1.164 . . . . 0.0 112.354 -168.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -61.76 139.16 58.36 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.448 -1.407 . . . . 0.0 110.706 174.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 m -96.36 122.51 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -168.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.6 mt 56.78 19.95 4.8 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.683 2.393 . . . . 0.0 116.006 170.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -139.59 155.95 47.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.122 1.369 . . . . 0.0 113.473 -168.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.19 10.99 0.09 OUTLIER Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.098 1.333 . . . . 0.0 115.115 174.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 p -80.84 160.45 24.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.061 1.345 . . . . 0.0 113.153 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 51.61 46.38 26.61 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -160.68 126.96 4.05 Favored 'General case' 0 CA--C 1.542 0.638 1 C-N-CA 132.504 4.322 . . . . 0.0 109.807 -8.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.63 -56.28 2.09 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.18 1.848 . . . . 0.0 115.96 171.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.93 167.29 14.42 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.494 1.518 . . . . 0.0 114.569 -170.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.7 t 65.88 141.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 128.903 2.881 . . . . 0.0 115.428 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 p -126.67 134.04 50.81 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.288 1.835 . . . . 0.0 111.178 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -158.29 174.26 15.42 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.35 1.46 . . . . 0.0 111.172 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.51 5.11 0.85 Allowed 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m 54.2 60.86 3.33 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.705 1.602 . . . . 0.0 112.908 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.29 148.66 31.29 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -87.54 -2.95 58.96 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -169.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.86 161.06 21.91 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.909 1.231 . . . . 0.0 111.716 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -75.53 22.01 0.14 Allowed 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 117.106 2.262 . . . . 0.0 117.106 -156.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -148.59 161.26 42.05 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.798 1.239 . . . . 0.0 112.277 169.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.5 mt -102.64 111.31 23.57 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.104 1.362 . . . . 0.0 110.127 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.72 128.8 3.4 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 126.492 1.917 . . . . 0.0 108.661 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -56.85 104.27 0.14 Allowed 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.123 3.216 . . . . 0.0 114.228 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -141.16 164.33 30.55 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.67 101.96 4.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 128.478 2.711 . . . . 0.0 110.072 -176.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.73 110.0 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 O-C-N 120.824 -1.173 . . . . 0.0 108.451 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 163.39 12.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.687 1.195 . . . . 0.0 111.326 166.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -113.97 149.54 35.13 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.165 1.386 . . . . 0.0 110.624 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.14 142.92 38.01 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.078 0.951 . . . . 0.0 111.287 175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -109.04 124.88 51.44 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.72 2.008 . . . . 0.0 111.074 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -80.4 178.95 7.96 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.201 1.4 . . . . 0.0 111.54 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -72.69 -16.56 61.68 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.09 2.88 54.76 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.165 0.893 . . . . 0.0 112.781 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.59 7.82 88.16 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 125.154 1.359 . . . . 0.0 114.772 -168.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.57 120.11 18.72 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.472 1.136 . . . . 0.0 108.498 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.56 132.43 48.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.323 0.649 . . . . 0.0 112.013 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.35 163.16 26.35 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.443 1.497 . . . . 0.0 112.054 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -109.96 136.05 49.84 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.793 1.237 . . . . 0.0 111.509 -179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.13 109.98 27.05 Favored Pre-proline 0 N--CA 1.475 0.786 0 C-N-CA 125.217 1.407 . . . . 0.0 110.891 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -73.76 123.0 8.18 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.913 3.075 . . . . 0.0 111.996 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -105.33 142.84 34.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.413 1.885 . . . . 0.0 111.144 169.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.18 159.65 20.99 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.313 -0.867 . . . . 0.0 110.962 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.87 -19.88 60.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.262 1.025 . . . . 0.0 113.59 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.98 -12.3 61.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.76 1.224 . . . . 0.0 113.214 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.68 167.38 11.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.106 2.162 . . . . 0.0 112.088 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -135.89 148.0 48.4 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.815 1.246 . . . . 0.0 111.469 170.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -62.74 110.13 3.11 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 128.015 2.526 . . . . 0.0 111.631 -172.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -71.87 150.46 55.45 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.352 2.701 . . . . 0.0 110.86 167.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.81 15.49 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.594 1.568 . . . . 0.0 115.173 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.97 159.38 42.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.122 0.961 . . . . 0.0 112.937 172.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.11 148.06 21.71 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.056 1.342 . . . . 0.0 112.343 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 125.16 25.8 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.946 -1.096 . . . . 0.0 111.687 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.8 m -91.46 165.75 13.22 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.599 1.159 . . . . 0.0 112.867 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -68.55 -16.37 63.85 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -68.64 -17.09 64.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.057 1.343 . . . . 0.0 113.173 169.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 13.35 60.71 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.172 1.368 . . . . 0.0 113.82 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.5 148.67 33.97 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.041 1.336 . . . . 0.0 111.258 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.24 110.01 2.87 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.857 0.863 . . . . 0.0 110.205 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.35 148.48 21.34 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.385 0.993 . . . . 0.0 112.501 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 m -106.3 140.25 39.53 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.787 -0.831 . . . . 0.0 111.559 173.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.01 123.05 15.88 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.11 1.364 . . . . 0.0 112.049 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.486 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.96 153.22 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.405 1.482 . . . . 0.0 111.862 177.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -76.83 129.25 35.98 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.583 0.753 . . . . 0.0 110.744 176.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.4 -24.36 51.25 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 115.919 1.128 . . . . 0.0 115.919 -169.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -140.1 19.89 2.44 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.455 1.128 . . . . 0.0 113.7 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.23 151.35 58.78 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.779 1.632 . . . . 0.0 110.271 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -77.15 36.81 0.55 Allowed 'Trans proline' 0 CA--C 1.551 1.329 0 C-N-CA 124.617 3.545 . . . . 0.0 112.645 175.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 35.95 59.85 3.04 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 128.702 2.801 . . . . 0.0 114.881 -170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -77.26 151.28 29.77 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.547 2.832 . . . . 0.0 111.513 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . 0.286 64.8 pttt 49.33 -169.58 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.383 1.473 . . . . 0.0 114.432 172.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -67.18 79.93 0.14 Allowed 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.443 -1.41 . . . . 0.0 111.776 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.292 22.4 m 51.35 30.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 129.124 2.97 . . . . 0.0 117.061 169.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -138.6 152.62 71.27 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 125.399 1.48 . . . . 0.0 112.135 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 87.5 Cg_endo -78.49 147.03 81.08 Favored 'Cis proline' 0 CA--C 1.546 1.11 0 CA-C-N 120.043 1.051 . . . . 0.0 113.856 5.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' PRO . 30.0 Cg_exo -64.92 153.18 79.4 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 122.845 2.363 . . . . 0.0 112.555 174.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 . . . . . 0 C--O 1.248 1.017 0 C-N-CA 129.628 3.171 . . . . 0.0 110.673 -2.462 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -137.04 148.56 46.89 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.428 1.491 . . . . 0.0 111.095 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.73 -34.51 34.37 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.718 0.807 . . . . 0.0 112.165 171.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -81.9 176.43 9.57 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.692 1.597 . . . . 0.0 110.927 165.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -33.5 116.98 0.28 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.26 2.624 . . . . 0.0 113.306 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -79.99 156.72 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 C-N-CA 125.186 1.394 . . . . 0.0 111.836 -175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.0 mt 57.63 15.14 2.7 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.857 2.063 . . . . 0.0 114.808 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.1 ttt85 -97.51 123.74 41.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.093 1.757 . . . . 0.0 109.877 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.14 3.84 3.76 Favored Glycine 0 CA--C 1.537 1.439 0 N-CA-C 116.258 1.263 . . . . 0.0 116.258 -173.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.41 -45.04 96.02 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -120.52 -37.77 2.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 129.437 3.095 . . . . 0.0 114.095 -5.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -114.41 3.19 14.91 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.66 1.184 . . . . 0.0 113.765 -177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.3 -57.53 2.83 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.824 1.678 . . . . 0.0 113.988 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.27 41.79 0.63 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.178 1.791 . . . . 0.0 113.246 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.88 136.71 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.479 1.512 . . . . 0.0 110.702 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -104.19 60.52 0.72 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.928 1.291 . . . . 0.0 112.261 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -110.0 -5.5 15.42 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.814 1.646 . . . . 0.0 114.139 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 52.42 33.52 13.25 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.078 1.751 . . . . 0.0 114.035 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m 57.96 32.12 21.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.333 1.453 . . . . 0.0 113.362 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -142.07 168.65 19.25 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.751 1.62 . . . . 0.0 112.146 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -123.63 136.76 54.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.488 1.515 . . . . 0.0 112.425 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.24 124.19 22.78 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.877 1.671 . . . . 0.0 108.215 164.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -99.8 -8.04 24.68 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -76.2 153.04 36.43 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.133 -0.979 . . . . 0.0 113.072 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -131.73 149.41 52.49 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.181 1.792 . . . . 0.0 110.674 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 62.75 152.61 0.11 Allowed Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 127.356 2.263 . . . . 0.0 114.17 -171.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.62 108.73 1.69 Allowed 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.062 2.508 . . . . 0.0 111.588 -176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -140.97 152.84 45.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.089 1.755 . . . . 0.0 112.156 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.58 101.99 7.16 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.4 1.88 . . . . 0.0 109.936 -168.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.4 mp -88.5 103.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.99 26.36 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.321 1.049 . . . . 0.0 110.89 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -94.2 151.56 19.37 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.482 0.713 . . . . 0.0 111.539 174.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -140.52 141.25 35.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.573 1.149 . . . . 0.0 111.589 173.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -108.29 124.89 51.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.502 1.921 . . . . 0.0 110.99 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.8 p -77.67 177.7 7.91 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.215 1.406 . . . . 0.0 111.333 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.84 -10.49 59.81 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.438 -0.789 . . . . 0.0 112.674 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -99.43 12.12 37.24 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.46 1.904 . . . . 0.0 111.527 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.78 1.21 89.26 Favored Glycine 0 N--CA 1.474 1.168 0 C-N-CA 126.413 1.959 . . . . 0.0 115.096 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -83.83 120.26 25.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.483 0.641 . . . . 0.0 109.954 -167.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -102.5 128.4 49.15 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.413 0.625 . . . . 0.0 111.772 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -126.33 160.78 29.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.641 1.576 . . . . 0.0 111.487 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -110.28 132.58 54.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.478 1.511 . . . . 0.0 111.221 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.78 110.09 29.88 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 125.503 1.521 . . . . 0.0 110.689 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.43 130.04 16.74 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.049 3.166 . . . . 0.0 113.019 170.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -117.77 142.26 47.48 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.185 2.194 . . . . 0.0 111.455 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.16 163.12 18.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.958 0.903 . . . . 0.0 111.356 173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -60.55 -19.94 58.86 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 121.199 -0.938 . . . . 0.0 113.387 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.95 -10.6 60.01 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.72 1.208 . . . . 0.0 113.093 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.4 160.49 28.06 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.649 1.98 . . . . 0.0 112.493 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -130.92 139.48 50.08 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 110.797 172.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.6 mm -54.11 110.07 1.89 Allowed Pre-proline 0 CA--C 1.54 0.562 0 C-N-CA 127.777 2.431 . . . . 0.0 111.385 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.71 149.81 55.33 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 123.149 2.566 . . . . 0.0 110.519 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.87 15.14 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.514 1.53 . . . . 0.0 115.19 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.4 p -140.04 159.69 41.62 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.111 0.955 . . . . 0.0 112.339 171.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -157.21 148.07 21.54 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.532 1.533 . . . . 0.0 112.008 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 125.91 28.14 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.866 -1.146 . . . . 0.0 111.972 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -92.67 163.97 13.57 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.67 1.188 . . . . 0.0 112.77 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -68.35 -14.98 63.38 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -68.73 -17.14 64.0 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.506 0.67 . . . . 0.0 112.649 169.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.08 12.95 58.31 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.59 1.566 . . . . 0.0 113.912 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.7 tpp -109.91 148.34 31.75 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.102 1.761 . . . . 0.0 111.179 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.4 110.04 3.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.574 0.75 . . . . 0.0 110.06 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.71 148.44 22.69 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.638 1.113 . . . . 0.0 112.559 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.6 m -106.67 139.27 41.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.758 0.823 . . . . 0.0 111.426 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.17 121.83 12.91 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.348 1.459 . . . . 0.0 110.964 -174.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -126.59 155.06 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 125.963 1.705 . . . . 0.0 111.671 174.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -104.89 137.67 42.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.434 1.094 . . . . 0.0 111.898 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.61 -31.55 0.13 Allowed Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.382 0.992 . . . . 0.0 114.137 172.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -148.27 148.7 30.76 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 127.361 2.264 . . . . 0.0 107.769 172.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.0 166.34 22.46 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 130.552 3.541 . . . . 0.0 112.411 10.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.12 -32.03 17.85 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.743 2.295 . . . . 0.0 113.031 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -136.3 59.92 29.68 Favored Pre-proline 0 CA--C 1.555 1.149 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.54 130.73 10.99 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.837 2.358 . . . . 0.0 109.597 162.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 tttt 55.26 -169.98 0.07 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.672 1.589 . . . . 0.0 113.067 -164.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -77.41 64.7 2.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.758 1.623 . . . . 0.0 112.198 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.4 165.64 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 126.262 1.825 . . . . 0.0 111.959 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -140.47 143.32 32.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 125.796 1.638 . . . . 0.0 110.406 174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -55.86 160.35 10.11 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 124.007 3.138 . . . . 0.0 115.104 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -63.34 153.29 75.34 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.174 2.583 . . . . 0.0 112.523 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.052 1.741 . . . . 0.0 111.924 -173.5 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.0 mtt -74.5 154.77 38.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.978 0.911 . . . . 0.0 112.129 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.61 -20.96 58.19 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t70 60.92 -26.57 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.892 2.877 . . . . 0.0 116.693 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -130.05 169.65 15.02 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.871 2.468 . . . . 0.0 110.737 176.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.0 77.75 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.122 0.969 . . . . 0.0 109.718 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.79 4.48 47.42 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.398 1.479 . . . . 0.0 113.884 -176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -77.51 67.04 3.36 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.608 1.563 . . . . 0.0 112.3 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.22 176.37 26.87 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.842 1.211 . . . . 0.0 113.556 172.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -56.46 -26.08 52.79 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -164.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -82.92 37.93 0.56 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.395 1.478 . . . . 0.0 112.484 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.356 3.0 pp 49.91 30.49 3.99 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.752 2.021 . . . . 0.0 115.047 -171.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.68 -6.59 70.56 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 125.702 1.62 . . . . 0.0 116.022 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.21 35.26 0.48 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 119.439 1.619 . . . . 0.0 113.097 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -81.53 138.65 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.968 1.307 . . . . 0.0 113.062 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 m -163.25 132.28 4.01 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.828 2.051 . . . . 0.0 109.785 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -156.21 164.88 37.82 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.2 105.43 2.94 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.812 0.845 . . . . 0.0 111.07 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.5 t -152.71 161.34 42.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.485 1.514 . . . . 0.0 111.473 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -73.07 126.52 30.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.039 0.936 . . . . 0.0 112.065 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -151.48 -52.5 0.13 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.151 1.38 . . . . 0.0 111.828 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -109.94 155.88 21.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.677 1.591 . . . . 0.0 110.785 173.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -119.62 1.74 11.13 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.877 1.271 . . . . 0.0 114.308 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -78.25 175.65 10.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.278 1.031 . . . . 0.0 112.924 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.94 130.03 42.44 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.926 1.291 . . . . 0.0 110.223 170.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.94 170.01 8.29 Favored Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 125.621 1.568 . . . . 0.0 111.669 -170.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -68.04 71.25 0.83 Allowed 'Trans proline' 0 CA--C 1.548 1.22 0 C-N-CA 124.623 3.548 . . . . 0.0 114.717 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -140.97 165.78 26.6 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.975 1.71 . . . . 0.0 114.735 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -132.75 104.73 6.76 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 128.23 2.612 . . . . 0.0 109.409 -172.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.41 107.41 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 124.211 1.004 . . . . 0.0 108.675 175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 161.99 13.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.675 1.19 . . . . 0.0 110.497 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -114.02 153.97 28.46 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.567 1.147 . . . . 0.0 110.027 169.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -140.94 138.46 33.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.43 1.092 . . . . 0.0 112.038 173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -104.15 124.23 48.71 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.603 1.961 . . . . 0.0 110.982 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.0 p -80.06 178.81 7.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.939 1.296 . . . . 0.0 111.735 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -73.09 -16.58 61.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -89.77 2.4 54.93 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.165 0.893 . . . . 0.0 112.694 170.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.49 8.92 87.06 Favored Glycine 0 C--N 1.341 0.82 0 C-N-CA 125.176 1.37 . . . . 0.0 114.807 -168.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 119.59 18.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.235 . . . . 0.0 108.491 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -102.54 128.48 49.16 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.823 0.849 . . . . 0.0 111.823 -177.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.73 163.29 23.15 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.273 1.429 . . . . 0.0 111.61 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.97 136.53 49.1 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.276 1.03 . . . . 0.0 110.582 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.5 t -123.4 109.92 30.76 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.797 1.239 . . . . 0.0 109.716 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.15 126.02 7.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.36 2.707 . . . . 0.0 111.547 172.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -110.18 141.53 42.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.37 1.868 . . . . 0.0 111.524 175.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.03 158.78 26.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.662 0.785 . . . . 0.0 111.181 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.39 -19.93 50.95 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.985 1.314 . . . . 0.0 113.746 178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.99 -13.13 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.819 1.248 . . . . 0.0 113.412 172.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.69 160.22 26.31 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.684 1.994 . . . . 0.0 112.62 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -131.25 142.41 50.14 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.06 1.344 . . . . 0.0 111.315 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.3 110.01 2.25 Favored Pre-proline 0 N--CA 1.471 0.597 0 C-N-CA 128.026 2.53 . . . . 0.0 111.701 -172.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -72.07 149.8 53.12 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.284 2.656 . . . . 0.0 110.725 169.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.94 -29.92 14.91 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.718 1.628 . . . . 0.0 115.378 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.0 p -139.99 159.61 41.79 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.103 0.951 . . . . 0.0 112.351 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -157.68 148.11 20.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.581 1.552 . . . . 0.0 111.907 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.67 125.19 25.78 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.883 -1.136 . . . . 0.0 111.863 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.17 165.7 14.3 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.621 1.168 . . . . 0.0 112.606 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -67.98 -17.05 64.31 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -68.63 -17.13 64.05 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.18 1.392 . . . . 0.0 113.31 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.0 14.69 58.86 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.148 1.356 . . . . 0.0 113.812 -175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.29 148.57 37.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.043 1.337 . . . . 0.0 111.284 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.94 110.04 3.19 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.84 0.856 . . . . 0.0 110.468 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.3 150.65 22.12 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 124.775 1.178 . . . . 0.0 112.974 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.7 m -109.61 138.36 46.09 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.922 0.889 . . . . 0.0 112.073 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.0 121.75 12.61 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.035 1.734 . . . . 0.0 112.24 -170.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.451 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -127.22 156.15 38.62 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 127.052 2.141 . . . . 0.0 109.592 166.376 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -66.94 123.48 20.32 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.923 -1.11 . . . . 0.0 113.161 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.35 28.19 41.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 129.832 3.586 . . . . 0.0 115.057 -8.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -144.42 135.04 24.78 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.787 1.635 . . . . 0.0 109.989 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.3 mt -129.17 108.43 17.91 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.933 1.693 . . . . 0.0 110.615 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -68.67 -37.12 12.89 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.978 2.452 . . . . 0.0 113.166 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -136.99 74.37 50.46 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.733 1.613 . . . . 0.0 113.002 -176.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -54.89 130.12 38.94 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.286 1.991 . . . . 0.0 110.11 157.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -155.11 126.71 7.41 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.656 0.782 . . . . 0.0 112.683 -167.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -142.81 154.65 44.41 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.597 1.959 . . . . 0.0 110.724 173.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.43 156.82 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 125.082 1.353 . . . . 0.0 113.45 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -137.84 151.33 70.2 Favored Pre-proline 0 N--CA 1.48 1.041 0 C-N-CA 126.242 1.817 . . . . 0.0 111.094 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.11 153.17 67.6 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.17 2.58 . . . . 0.0 112.671 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -70.02 151.09 67.45 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.621 2.881 . . . . 0.0 112.341 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.369 1.868 . . . . 0.0 111.659 -179.55 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 119.573 -0.251 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.4 ttt -78.21 133.65 37.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.805 1.242 . . . . 0.0 111.605 176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.03 141.64 33.03 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.103 0.961 . . . . 0.0 111.068 169.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 t0 50.89 44.34 28.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.97 1.308 . . . . 0.0 113.206 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.64 138.91 56.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.444 1.498 . . . . 0.0 113.57 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.0 143.14 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.281 1.832 . . . . 0.0 110.654 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.9 mt -120.99 142.28 49.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.135 1.374 . . . . 0.0 111.075 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 48.49 39.92 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.312 1.845 . . . . 0.0 113.526 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.89 -161.27 36.68 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.4 1.476 . . . . 0.0 113.521 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.7 p -75.32 43.05 0.22 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.161 1.784 . . . . 0.0 113.967 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -145.14 14.14 1.46 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.203 2.201 . . . . 0.0 113.353 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 tp -74.63 -36.85 62.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.368 1.467 . . . . 0.0 112.944 -172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.61 -173.34 46.19 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.072 1.32 . . . . 0.0 112.223 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.02 35.6 0.26 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.161 0.984 . . . . 0.0 113.403 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.29 -31.36 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.857 -1.152 . . . . 0.0 114.075 -166.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.7 t -154.09 2.92 0.25 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.856 1.262 . . . . 0.0 113.019 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -158.09 171.09 20.86 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.293 2.237 . . . . 0.0 109.925 -170.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.28 25.24 0.1 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m 58.04 20.53 6.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.873 1.669 . . . . 0.0 113.866 -170.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 51.68 85.19 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 127.315 2.246 . . . . 0.0 113.9 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.45 HH12 ' HA ' ' A' ' 69' ' ' ASP . 18.4 mtp180 -94.96 154.23 17.29 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -140.08 -24.63 0.81 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 114.509 167.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -164.31 -55.46 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -107.11 149.45 27.63 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.155 2.982 . . . . 0.0 113.679 -0.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -92.4 69.81 5.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.546 1.165 . . . . 0.0 109.501 166.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.46 150.53 11.95 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 127.197 2.199 . . . . 0.0 110.274 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.96 69.76 7.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.583 2.188 . . . . 0.0 111.114 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -141.28 170.16 16.26 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.701 1.6 . . . . 0.0 114.148 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.18 120.06 15.36 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 127.936 2.494 . . . . 0.0 108.673 168.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.4 mm -96.11 103.72 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.74 166.94 11.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.417 0.687 . . . . 0.0 110.228 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -123.72 152.67 41.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.032 0.933 . . . . 0.0 111.391 177.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -141.52 138.71 32.94 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.667 1.187 . . . . 0.0 112.631 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -104.14 124.09 48.47 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.8 2.04 . . . . 0.0 111.499 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 p -79.24 178.36 8.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.06 1.344 . . . . 0.0 111.781 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.78 -16.74 61.63 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -90.11 2.95 54.71 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.218 0.917 . . . . 0.0 112.708 171.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.28 9.01 87.05 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.17 1.367 . . . . 0.0 114.813 -169.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.04 119.64 19.48 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.541 1.171 . . . . 0.0 108.434 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -102.56 130.73 49.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.459 0.704 . . . . 0.0 112.203 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.66 163.2 24.77 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.96 1.704 . . . . 0.0 111.594 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -109.9 137.69 47.34 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -127.03 110.04 21.78 Favored Pre-proline 0 N--CA 1.472 0.66 0 C-N-CA 125.61 1.564 . . . . 0.0 110.366 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -68.81 130.07 19.82 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 124.225 3.283 . . . . 0.0 113.09 170.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -120.0 148.35 43.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.055 2.142 . . . . 0.0 111.206 171.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.15 156.8 18.57 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.835 -1.166 . . . . 0.0 110.885 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.1 -19.99 63.57 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.099 -1.001 . . . . 0.0 113.603 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.89 -16.83 61.1 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.82 1.248 . . . . 0.0 113.213 172.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.56 177.46 4.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.784 2.034 . . . . 0.0 112.178 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -133.07 165.28 25.13 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.814 1.646 . . . . 0.0 111.369 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -91.17 107.37 20.79 Favored Pre-proline 0 N--CA 1.47 0.536 0 C-N-CA 126.69 1.996 . . . . 0.0 108.794 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.54 151.1 70.26 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.117 2.544 . . . . 0.0 110.167 170.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.65 -29.89 13.03 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.563 1.554 . . . . 0.0 115.031 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.4 p -139.97 159.37 42.32 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.261 1.031 . . . . 0.0 112.429 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.5 t-105 -157.03 148.11 21.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.87 1.668 . . . . 0.0 111.578 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 126.69 30.32 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.987 -1.071 . . . . 0.0 111.767 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.3 m -90.93 165.16 13.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.648 1.179 . . . . 0.0 112.846 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -69.45 -13.53 62.4 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.4 -17.14 63.64 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.018 1.327 . . . . 0.0 113.095 168.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 13.05 61.23 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 125.005 1.288 . . . . 0.0 113.782 -174.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.4 tpt -112.6 148.83 33.77 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.879 1.272 . . . . 0.0 111.372 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -67.14 110.12 3.32 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.834 0.854 . . . . 0.0 110.446 174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.91 149.82 21.83 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.877 1.227 . . . . 0.0 113.038 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.6 m -108.86 137.83 46.16 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.914 0.885 . . . . 0.0 112.081 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.07 122.48 14.48 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.272 1.829 . . . . 0.0 111.899 -170.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.412 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -124.61 155.92 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.457 1.903 . . . . 0.0 110.132 166.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -63.02 117.27 6.21 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.231 -0.918 . . . . 0.0 112.958 -174.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.26 -11.1 1.05 Allowed Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.948 1.261 . . . . 0.0 115.858 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.45 ' HA ' HH12 ' A' ' 21' ' ' ARG . 22.3 t0 -85.19 33.66 0.55 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.727 1.763 . . . . 0.0 114.109 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.59 160.21 70.22 Favored Pre-proline 0 CA--C 1.553 1.084 0 C-N-CA 126.973 2.109 . . . . 0.0 111.537 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -72.09 -31.68 4.89 Favored 'Cis proline' 0 C--N 1.357 1.015 0 N-CA-C 117.169 1.95 . . . . 0.0 117.169 10.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -131.21 80.09 69.14 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.553 1.141 . . . . 0.0 112.577 -168.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -72.79 59.82 3.51 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.747 3.631 . . . . 0.0 112.388 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -85.2 50.67 1.99 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.15 2.18 . . . . 0.0 112.166 -173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -126.62 40.08 3.8 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.467 1.907 . . . . 0.0 112.551 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.87 135.08 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.927 1.691 . . . . 0.0 109.879 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -148.99 152.06 35.84 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 125.626 1.57 . . . . 0.0 112.29 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -73.73 164.06 35.7 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 123.247 2.631 . . . . 0.0 111.816 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -61.81 135.25 54.81 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 123.177 2.585 . . . . 0.0 112.356 172.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 129.197 2.999 . . . . 0.0 111.574 -9.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.5 mtt 60.19 -26.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 129.173 2.989 . . . . 0.0 117.802 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.99 29.34 9.94 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.37 1.868 . . . . 0.0 115.047 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.79 153.78 40.94 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.703 1.201 . . . . 0.0 113.103 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -135.2 150.49 50.12 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.813 1.645 . . . . 0.0 111.499 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.22 163.72 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.283 1.833 . . . . 0.0 111.93 -174.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.2 pt? -68.65 149.53 49.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.008 1.323 . . . . 0.0 112.432 172.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -86.37 149.94 24.67 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.292 1.037 . . . . 0.0 112.179 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.57 159.46 35.46 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.219 1.39 . . . . 0.0 114.808 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m -63.03 -19.11 64.07 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.471 1.508 . . . . 0.0 115.023 -169.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -5.89 2.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.801 1.64 . . . . 0.0 114.913 174.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.81 -36.04 69.46 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.085 1.354 . . . . 0.0 111.808 164.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.2 52.1 11.92 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 124.016 0.817 . . . . 0.0 113.013 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.85 118.78 3.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.328 1.051 . . . . 0.0 112.326 -174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.302 13.9 m 46.55 21.32 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 C-N-CA 128.302 2.641 . . . . 0.0 116.61 -173.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 t -152.68 82.68 1.23 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.72 1.608 . . . . 0.0 109.847 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -144.9 159.83 42.28 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.264 1.426 . . . . 0.0 112.645 -172.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.67 110.06 3.57 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 122.057 0.932 . . . . 0.0 111.348 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -84.42 -9.95 57.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.075 1.35 . . . . 0.0 114.519 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -92.3 153.09 19.45 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.428 1.491 . . . . 0.0 112.712 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.8 mmt-85 -135.13 158.31 44.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.994 1.317 . . . . 0.0 112.304 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -115.48 27.03 9.61 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.368 1.867 . . . . 0.0 113.645 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.96 -31.47 72.67 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.073 0.949 . . . . 0.0 112.55 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -106.72 152.59 23.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.254 1.421 . . . . 0.0 110.527 160.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.1 mt -126.04 141.46 51.95 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.223 1.409 . . . . 0.0 111.259 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.11 170.0 8.65 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 125.668 1.587 . . . . 0.0 112.114 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -59.97 69.95 0.07 OUTLIER 'Trans proline' 0 CA--C 1.545 1.065 1 C-N-CA 126.315 4.677 . . . . 0.0 114.093 166.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.1 ptt-85 -97.72 156.12 16.7 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.244 1.817 . . . . 0.0 113.299 -167.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.95 102.75 6.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.255 1.822 . . . . 0.0 108.825 -169.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.3 mm -86.23 106.82 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.89 160.86 14.12 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.574 -0.704 . . . . 0.0 111.4 172.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -113.44 148.59 35.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.154 1.382 . . . . 0.0 110.26 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -139.5 142.72 37.29 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.01 0.924 . . . . 0.0 111.346 175.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -108.75 124.73 51.03 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.639 1.576 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.8 p -78.85 178.03 8.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.126 1.37 . . . . 0.0 111.681 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.68 -16.6 61.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -88.79 2.29 53.78 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.225 0.92 . . . . 0.0 112.66 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.42 4.31 89.44 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 125.308 1.432 . . . . 0.0 114.853 -169.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.58 120.15 17.79 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.671 1.236 . . . . 0.0 109.074 -178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -102.49 133.73 46.98 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.202 0.601 . . . . 0.0 111.681 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -128.69 163.02 26.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.147 1.379 . . . . 0.0 111.935 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.02 134.66 51.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.132 1.373 . . . . 0.0 110.59 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 t -125.65 110.02 25.61 Favored Pre-proline 0 N--CA 1.473 0.705 0 C-N-CA 125.604 1.562 . . . . 0.0 110.69 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -69.0 130.06 19.57 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.003 3.135 . . . . 0.0 112.371 169.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -112.14 140.07 47.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.085 1.754 . . . . 0.0 111.275 169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.73 164.58 19.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.843 0.857 . . . . 0.0 112.137 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -54.19 -26.25 27.2 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.523 1.529 . . . . 0.0 113.839 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -73.76 -13.85 61.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.355 1.862 . . . . 0.0 114.019 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.69 161.35 31.84 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.778 1.631 . . . . 0.0 113.73 -171.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -132.01 152.32 51.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.97 1.308 . . . . 0.0 112.602 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -66.0 110.19 4.28 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 129.369 3.068 . . . . 0.0 112.338 -170.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.68 152.29 69.72 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.416 2.744 . . . . 0.0 111.4 166.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.14 -29.82 15.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.191 1.377 . . . . 0.0 115.328 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.8 p -141.55 160.2 40.64 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.466 1.106 . . . . 0.0 113.043 173.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -157.28 148.04 21.41 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 112.595 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 123.92 22.4 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.856 -1.153 . . . . 0.0 111.735 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.8 m -88.87 166.2 14.13 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.492 1.117 . . . . 0.0 112.516 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 -20.72 65.22 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.203 1.001 . . . . 0.0 112.608 -174.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -65.09 -17.1 64.17 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.174 1.39 . . . . 0.0 113.245 170.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.19 59.6 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.203 1.383 . . . . 0.0 113.733 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -114.04 148.71 36.57 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.88 1.272 . . . . 0.0 111.565 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.91 110.0 1.96 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.151 0.98 . . . . 0.0 111.195 172.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.84 147.32 19.27 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.423 1.011 . . . . 0.0 112.482 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -106.75 139.78 40.65 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.839 -0.801 . . . . 0.0 111.615 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.95 122.77 15.13 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.24 1.416 . . . . 0.0 112.551 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.3 155.95 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 125.612 1.565 . . . . 0.0 112.254 176.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -76.56 143.47 40.29 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.675 0.79 . . . . 0.0 111.433 170.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 55.38 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 C-N-CA 125.051 1.31 . . . . 0.0 111.513 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.21 -178.8 3.47 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.316 1.846 . . . . 0.0 112.593 -159.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.51 158.81 35.27 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 128.445 2.698 . . . . 0.0 110.756 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.09 -39.77 3.8 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.874 2.382 . . . . 0.0 113.512 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -141.26 59.79 11.06 Favored Pre-proline 0 CA--C 1.557 1.225 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.96 160.96 39.64 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 124.056 3.171 . . . . 0.0 113.124 171.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -91.26 18.19 7.34 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.951 1.7 . . . . 0.0 114.891 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -76.47 40.0 0.22 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.746 2.418 . . . . 0.0 114.669 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 36.0 m -78.09 146.82 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.852 1.261 . . . . 0.0 113.379 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -71.99 153.88 92.68 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.712 1.205 . . . . 0.0 112.008 172.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -69.21 167.6 23.25 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.999 2.466 . . . . 0.0 111.109 163.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -61.88 131.75 36.57 Favored 'Trans proline' 0 CA--C 1.543 0.952 0 C-N-CA 122.201 1.934 . . . . 0.0 110.96 166.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 126.431 1.892 . . . . 0.0 111.622 -177.348 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.1 ttt -70.83 146.19 49.84 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.967 0.907 . . . . 0.0 111.729 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 -6.6 54.66 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -144.68 161.22 39.74 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.974 1.71 . . . . 0.0 111.126 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -105.57 19.94 19.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.096 1.759 . . . . 0.0 115.2 -173.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.0 t -126.84 138.58 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.923 2.089 . . . . 0.0 110.668 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.6 mt -128.39 158.88 37.06 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.286 1.835 . . . . 0.0 111.663 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -116.34 163.61 15.76 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.213 1.805 . . . . 0.0 111.071 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.05 172.5 55.27 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.289 0.947 . . . . 0.0 114.242 175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.3 m 54.2 33.93 19.14 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 171.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 -80.0 163.44 24.23 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.817 1.247 . . . . 0.0 112.517 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.18 -25.42 25.68 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.818 0.847 . . . . 0.0 112.496 161.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.62 114.77 4.05 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.966 1.269 . . . . 0.0 114.097 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.73 158.45 30.95 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.524 1.13 . . . . 0.0 112.144 170.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -127.33 157.14 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.529 . . . . 0.0 112.158 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -82.55 13.12 3.9 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.382 1.623 . . . . 0.0 115.382 -166.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -150.56 156.92 42.33 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.537 1.535 . . . . 0.0 112.743 -168.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.62 105.13 8.58 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.539 1.135 . . . . 0.0 111.757 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 p -84.89 -7.72 59.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.685 1.594 . . . . 0.0 114.631 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -141.33 157.95 44.52 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.126 1.77 . . . . 0.0 111.429 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.262 40.1 ptt180 45.76 34.53 1.86 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 127.186 2.194 . . . . 0.0 114.736 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.4 p30 -98.37 7.12 46.64 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.901 -168.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -71.18 158.8 35.8 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.613 1.165 . . . . 0.0 112.154 173.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -134.26 152.23 51.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.096 1.359 . . . . 0.0 114.122 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.6 mt -144.54 133.92 23.16 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.314 1.846 . . . . 0.0 110.871 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.53 121.19 0.02 OUTLIER Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 128.358 2.663 . . . . 0.0 116.174 172.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.59 119.06 6.03 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.93 3.086 . . . . 0.0 111.127 168.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -141.11 169.56 17.39 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.343 1.457 . . . . 0.0 114.756 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.22 113.7 16.01 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 128.721 2.808 . . . . 0.0 108.58 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.64 105.23 15.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 124.006 0.923 . . . . 0.0 108.741 173.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.07 152.32 18.88 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.487 0.715 . . . . 0.0 110.457 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -104.86 150.99 24.37 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.097 0.959 . . . . 0.0 110.619 171.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -141.46 142.82 33.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.756 1.222 . . . . 0.0 110.886 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -110.04 125.77 53.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.9 p -80.87 178.34 8.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.848 1.259 . . . . 0.0 111.898 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.18 -16.17 61.96 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.55 2.9 56.12 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 119.165 0.893 . . . . 0.0 112.787 171.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.92 8.72 87.14 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 124.933 1.254 . . . . 0.0 114.581 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.21 120.02 20.13 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.779 1.289 . . . . 0.0 108.574 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -102.53 131.25 49.37 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.538 0.735 . . . . 0.0 111.241 -176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -129.84 164.25 24.53 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.421 1.488 . . . . 0.0 112.328 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -109.87 134.03 52.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.763 1.225 . . . . 0.0 110.63 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.0 t -118.02 110.03 40.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 C-N-CA 125.13 1.372 . . . . 0.0 109.247 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.56 128.83 13.03 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.282 2.655 . . . . 0.0 111.082 172.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -117.69 140.01 50.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.582 1.553 . . . . 0.0 111.302 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.57 158.79 25.65 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.142 -0.974 . . . . 0.0 111.349 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.87 -19.94 54.24 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.286 1.034 . . . . 0.0 113.752 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.49 -12.82 60.31 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.064 1.345 . . . . 0.0 113.504 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.16 173.68 6.65 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.047 2.139 . . . . 0.0 112.806 -176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.14 167.32 20.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.113 1.765 . . . . 0.0 111.644 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.35 110.03 37.86 Favored Pre-proline 0 N--CA 1.47 0.564 0 C-N-CA 127.015 2.126 . . . . 0.0 109.875 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.45 151.7 53.78 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.614 2.876 . . . . 0.0 110.789 168.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.88 15.24 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.656 1.598 . . . . 0.0 115.23 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -140.04 159.29 42.5 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.292 1.046 . . . . 0.0 112.514 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -157.83 147.96 20.44 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 112.14 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.86 24.87 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.874 -1.141 . . . . 0.0 111.663 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 72.2 m -91.81 165.99 12.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.652 1.181 . . . . 0.0 112.838 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -67.43 -15.86 63.91 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.264 1.026 . . . . 0.0 113.753 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.15 -17.13 63.79 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.092 1.357 . . . . 0.0 113.273 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.62 61.83 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.016 1.293 . . . . 0.0 113.596 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -113.15 147.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.693 1.597 . . . . 0.0 111.166 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.46 110.05 3.46 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.905 0.882 . . . . 0.0 110.374 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.01 148.54 21.59 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.366 0.984 . . . . 0.0 112.731 176.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.4 m -108.28 137.77 45.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.947 0.899 . . . . 0.0 111.617 173.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 121.02 10.83 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.769 1.628 . . . . 0.0 111.025 -174.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.532 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -124.65 155.96 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.078 1.751 . . . . 0.0 111.232 173.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.83 122.41 14.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.101 0.561 . . . . 0.0 110.66 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.94 -17.26 80.15 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 116.181 1.232 . . . . 0.0 116.181 -166.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 62.24 135.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 128.178 2.591 . . . . 0.0 115.427 -172.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.2 mt -130.05 139.2 34.94 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 125.593 1.557 . . . . 0.0 112.028 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.82 -21.97 7.96 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.159 2.573 . . . . 0.0 112.325 165.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -131.4 59.97 49.25 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 125.992 1.717 . . . . 0.0 114.903 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -47.03 141.12 12.81 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 123.954 3.103 . . . . 0.0 114.552 169.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -69.65 141.07 53.69 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.629 1.572 . . . . 0.0 111.96 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -130.5 39.93 3.57 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.61 1.564 . . . . 0.0 112.052 -175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -140.94 137.05 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.359 1.864 . . . . 0.0 109.377 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -133.98 158.47 75.31 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 125.833 1.653 . . . . 0.0 111.643 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.02 161.16 23.21 Favored 'Trans proline' 0 CA--C 1.548 1.188 0 C-N-CA 123.342 2.695 . . . . 0.0 113.938 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.85 -23.91 68.39 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.346 2.697 . . . . 0.0 115.285 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.383 1.873 . . . . 0.0 111.383 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -14.66 58.65 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -174.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.01 33.37 14.63 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 125.98 1.712 . . . . 0.0 114.923 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -87.92 -2.4 58.59 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.721 -175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 mtp-105 54.02 35.48 22.2 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.672 1.989 . . . . 0.0 114.847 174.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.84 137.34 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.936 1.295 . . . . 0.0 110.706 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.42 -5.45 49.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.13 1.372 . . . . 0.0 114.424 -170.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -135.23 149.74 49.93 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 126.026 1.73 . . . . 0.0 111.731 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.33 171.3 55.17 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.502 1.049 . . . . 0.0 113.942 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -148.45 171.22 16.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.445 1.498 . . . . 0.0 111.914 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -135.69 86.68 2.26 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.657 1.183 . . . . 0.0 111.504 170.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.6 tp -141.8 28.34 1.77 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 128.414 2.686 . . . . 0.0 111.156 -8.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.4 -53.16 2.31 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.096 1.332 . . . . 0.0 112.16 -165.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.38 158.74 31.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.998 1.319 . . . . 0.0 111.784 162.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -84.36 -10.07 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.681 1.192 . . . . 0.0 114.095 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 t -109.2 115.48 30.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.582 1.553 . . . . 0.0 110.672 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -161.51 -170.6 2.66 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.857 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -67.09 70.91 0.09 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.436 1.495 . . . . 0.0 112.481 169.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.4 p -66.05 -11.62 49.68 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.127 1.371 . . . . 0.0 114.411 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.95 44.38 0.39 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 127.728 2.411 . . . . 0.0 113.276 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -72.52 -22.3 61.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.22 1.408 . . . . 0.0 113.647 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -72.01 149.8 44.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.652 1.181 . . . . 0.0 112.114 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -150.3 162.12 41.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.407 1.483 . . . . 0.0 112.584 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -95.28 163.52 13.23 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.468 1.107 . . . . 0.0 111.899 166.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.1 mt -91.48 84.66 5.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.19 1.396 . . . . 0.0 111.14 -175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.98 154.09 37.42 Favored Pre-proline 0 CA--C 1.55 0.96 0 C-N-CA 125.583 1.553 . . . . 0.0 112.063 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.59 100.48 1.05 Allowed 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 123.505 2.803 . . . . 0.0 110.978 177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -141.09 169.26 17.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.356 1.462 . . . . 0.0 113.957 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.99 10.09 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.999 2.52 . . . . 0.0 108.89 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 mm -85.21 106.56 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 168.93 10.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.103 0.961 . . . . 0.0 111.267 169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -125.45 152.01 45.48 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 110.767 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -142.03 143.58 33.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.225 1.01 . . . . 0.0 112.303 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -110.05 123.77 50.28 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.299 2.24 . . . . 0.0 110.851 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.8 p -80.48 178.75 8.11 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.963 1.305 . . . . 0.0 111.692 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.0 -16.09 62.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -91.3 2.55 56.3 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 119.119 0.872 . . . . 0.0 112.755 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.25 9.29 86.74 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.137 1.351 . . . . 0.0 114.825 -168.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.42 119.97 19.34 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.673 1.237 . . . . 0.0 108.477 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -102.55 130.26 49.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.465 0.706 . . . . 0.0 112.113 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -127.5 163.91 23.08 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.998 1.719 . . . . 0.0 111.686 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 137.3 47.95 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.28 1.432 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.5 t -126.96 110.09 21.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.889 1.275 . . . . 0.0 110.95 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -70.16 130.03 18.17 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.445 3.43 . . . . 0.0 112.129 168.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -116.42 140.66 49.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.228 1.811 . . . . 0.0 111.525 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 162.55 20.81 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.993 0.917 . . . . 0.0 111.791 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.9 -26.04 45.58 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.203 1.401 . . . . 0.0 114.626 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.44 -12.69 60.02 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.793 1.237 . . . . 0.0 114.118 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -115.46 164.19 14.64 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.783 2.033 . . . . 0.0 112.655 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 149.44 48.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.952 1.301 . . . . 0.0 111.495 171.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.88 110.12 3.43 Favored Pre-proline 0 C--O 1.239 0.512 0 C-N-CA 127.882 2.473 . . . . 0.0 111.382 -170.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.07 150.33 60.05 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.373 2.715 . . . . 0.0 110.582 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.98 15.78 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.571 1.558 . . . . 0.0 115.144 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.98 159.32 42.45 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.121 0.961 . . . . 0.0 112.558 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.0 t-105 -157.62 148.03 20.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.393 1.477 . . . . 0.0 112.353 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.95 125.34 26.47 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.849 -1.157 . . . . 0.0 111.756 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.9 m -92.11 164.29 13.64 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.651 1.18 . . . . 0.0 112.79 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -65.88 -16.06 63.5 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -67.73 -17.02 64.42 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 124.264 1.026 . . . . 0.0 112.927 170.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 13.94 60.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.241 1.4 . . . . 0.0 113.63 -174.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.6 tpp -114.85 147.42 39.91 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.676 1.59 . . . . 0.0 111.398 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.28 110.1 3.39 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.01 0.924 . . . . 0.0 110.392 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.79 148.86 21.27 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.436 1.017 . . . . 0.0 112.857 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.1 m -107.91 138.61 43.86 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.231 1.012 . . . . 0.0 111.61 173.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.03 121.79 12.73 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.415 1.486 . . . . 0.0 111.945 -171.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.429 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -130.65 156.04 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 126.06 1.744 . . . . 0.0 112.057 174.099 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.64 151.17 37.81 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.635 -0.666 . . . . 0.0 111.559 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.45 -19.03 0.06 OUTLIER Glycine 0 CA--C 1.536 1.376 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -150.75 155.37 39.14 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.034 1.733 . . . . 0.0 108.839 169.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.5 152.2 49.27 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.822 1.649 . . . . 0.0 112.112 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -76.96 69.78 6.86 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 C-N-CA 124.291 3.327 . . . . 0.0 111.193 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 42.3 73.31 0.94 Allowed Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 128.187 2.595 . . . . 0.0 115.297 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.5 172.76 1.31 Allowed 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.814 3.009 . . . . 0.0 114.178 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -61.59 -29.93 70.35 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.653 1.181 . . . . 0.0 113.795 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? 48.68 62.16 2.71 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.745 2.018 . . . . 0.0 113.256 171.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.6 30.11 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 126.249 1.819 . . . . 0.0 114.82 -173.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -133.62 156.51 79.48 Favored Pre-proline 0 N--CA 1.479 0.998 0 C-N-CA 126.427 1.891 . . . . 0.0 111.852 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -59.28 151.96 63.77 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.309 2.673 . . . . 0.0 113.859 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.14 -15.53 16.19 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.654 2.903 . . . . 0.0 114.156 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.022 1.729 . . . . 0.0 112.157 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.545 0.212 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.1 tpt -97.58 -8.06 29.84 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.687 1.195 . . . . 0.0 113.488 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.94 156.17 42.86 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.646 1.578 . . . . 0.0 111.481 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -104.57 156.5 17.91 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 128.709 2.804 . . . . 0.0 112.458 -0.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 54.27 27.22 7.66 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 126.84 2.056 . . . . 0.0 115.294 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.7 t -79.98 142.75 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 126.183 1.793 . . . . 0.0 109.261 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -71.72 155.28 40.65 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.667 1.587 . . . . 0.0 113.499 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.38 -169.84 1.65 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.333 1.853 . . . . 0.0 110.296 168.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.66 54.37 0.34 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 124.4 1.0 . . . . 0.0 113.409 167.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.4 m -61.49 -17.3 53.97 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.379 1.872 . . . . 0.0 115.013 -166.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -67.7 -23.31 65.27 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt 59.79 -67.33 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.501 2.72 . . . . 0.0 114.117 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.0 170.66 54.7 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.969 1.271 . . . . 0.0 113.433 174.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.24 39.13 0.38 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.818 1.247 . . . . 0.0 114.006 -176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.5 t -140.48 125.51 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.621 1.568 . . . . 0.0 109.4 176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.7 m -91.38 133.11 35.73 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.371 1.068 . . . . 0.0 112.576 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -153.73 -166.47 2.4 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.436 1.894 . . . . 0.0 109.997 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.06 28.5 0.05 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.6 p -67.8 -14.18 62.74 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 120.091 -1.631 . . . . 0.0 114.41 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -114.01 29.91 7.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.7 2.0 . . . . 0.0 112.797 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -59.7 -20.91 59.42 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.373 1.469 . . . . 0.0 114.241 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.2 -41.01 87.52 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.348 1.059 . . . . 0.0 113.049 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -162.43 97.38 0.99 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.615 1.166 . . . . 0.0 111.465 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -152.81 163.83 38.98 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 128.873 2.869 . . . . 0.0 110.893 -12.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.14 133.95 34.57 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.938 0.895 . . . . 0.0 111.564 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.3 165.29 17.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 126.492 1.917 . . . . 0.0 110.053 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -60.94 107.25 0.43 Allowed 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 122.165 1.91 . . . . 0.0 108.298 157.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -141.04 165.98 26.04 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -165.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.82 110.39 9.73 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 128.444 2.698 . . . . 0.0 108.629 -178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mm -89.91 100.98 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.259 -0.9 . . . . 0.0 109.106 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.05 139.47 33.01 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.352 -0.843 . . . . 0.0 111.644 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -91.62 150.57 21.1 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.603 0.761 . . . . 0.0 111.249 174.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -141.64 142.21 33.4 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.446 1.098 . . . . 0.0 111.462 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -109.34 125.0 51.88 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.945 1.698 . . . . 0.0 111.471 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 72.5 p -79.46 177.81 8.58 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.987 1.315 . . . . 0.0 111.67 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.39 -16.11 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 -178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -90.75 2.78 55.72 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.179 0.9 . . . . 0.0 112.707 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.63 89.03 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.234 1.397 . . . . 0.0 114.902 -169.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.5 120.17 18.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.699 1.249 . . . . 0.0 109.264 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -102.43 132.85 48.19 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.584 0.706 . . . . 0.0 111.912 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -127.84 161.86 28.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.897 1.679 . . . . 0.0 111.622 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -111.04 133.65 53.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.552 1.541 . . . . 0.0 111.388 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 t -123.94 110.02 29.61 Favored Pre-proline 0 N--CA 1.472 0.647 0 C-N-CA 126.094 1.757 . . . . 0.0 110.399 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -70.03 130.08 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 123.824 3.016 . . . . 0.0 112.54 170.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -118.16 141.69 48.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.434 1.893 . . . . 0.0 111.237 171.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.52 159.38 21.71 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.377 -0.827 . . . . 0.0 111.202 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -60.25 -19.96 56.9 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.757 1.223 . . . . 0.0 113.63 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.94 -13.13 61.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.902 1.281 . . . . 0.0 113.307 172.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.97 162.49 18.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.911 2.084 . . . . 0.0 112.35 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -131.83 139.84 48.96 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.897 1.279 . . . . 0.0 111.073 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -56.23 110.15 2.14 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 127.932 2.493 . . . . 0.0 111.323 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.47 149.42 56.09 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.188 2.592 . . . . 0.0 110.447 169.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.88 15.32 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.49 1.519 . . . . 0.0 115.246 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.97 160.13 40.62 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.063 0.931 . . . . 0.0 112.309 170.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.1 148.14 23.25 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.506 1.522 . . . . 0.0 111.593 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.14 124.84 25.1 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.95 -1.094 . . . . 0.0 111.791 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -90.79 162.44 14.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.423 1.089 . . . . 0.0 112.414 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -69.17 -10.86 59.75 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -68.56 -17.16 64.09 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.283 1.033 . . . . 0.0 112.763 167.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 12.56 61.77 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.212 1.387 . . . . 0.0 113.586 -173.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.9 tpp -113.74 146.54 39.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.678 1.591 . . . . 0.0 111.308 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.15 110.04 3.29 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.752 0.821 . . . . 0.0 110.312 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.82 148.38 22.54 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.288 0.947 . . . . 0.0 112.652 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.6 m -107.01 138.75 42.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.801 0.841 . . . . 0.0 111.62 173.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.05 122.07 13.45 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.824 1.65 . . . . 0.0 111.074 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.66 155.72 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.785 1.634 . . . . 0.0 111.462 173.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.37 152.72 23.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.036 0.934 . . . . 0.0 111.907 167.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.4 -35.74 0.02 OUTLIER Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.274 0.87 . . . . 0.0 115.274 173.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -152.5 174.62 13.67 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.964 1.706 . . . . 0.0 110.863 174.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.94 126.82 92.65 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 125.897 1.679 . . . . 0.0 112.253 -170.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -81.63 35.27 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 124.494 3.463 . . . . 0.0 113.914 -173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 45.52 59.96 14.12 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.978 1.711 . . . . 0.0 112.771 -158.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.75 158.71 54.91 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.732 2.955 . . . . 0.0 112.902 -173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -82.5 -32.01 28.98 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.387 1.075 . . . . 0.0 113.097 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -82.49 39.93 0.63 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.064 1.746 . . . . 0.0 114.022 -170.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.08 29.89 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 126.149 1.78 . . . . 0.0 112.003 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -144.37 143.55 22.39 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 126.419 1.887 . . . . 0.0 110.822 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -59.47 152.48 61.19 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 123.1 2.533 . . . . 0.0 113.997 176.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.07 161.05 47.3 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.682 2.921 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.119 1.368 . . . . 0.0 112.486 176.184 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.98 152.59 37.74 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.849 1.26 . . . . 0.0 112.076 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.8 -34.53 26.97 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.71 0.804 . . . . 0.0 112.458 172.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -145.33 136.33 24.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.428 1.891 . . . . 0.0 110.44 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -154.64 157.89 38.84 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 130.366 3.466 . . . . 0.0 110.899 -8.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -85.76 131.37 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.439 1.095 . . . . 0.0 109.401 174.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.599 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -87.55 -0.24 56.55 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 -168.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -138.09 140.36 39.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.522 1.529 . . . . 0.0 111.444 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.74 164.73 12.27 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.817 1.199 . . . . 0.0 114.768 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.8 m -88.94 -20.83 24.01 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -135.77 4.73 3.07 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.63 -19.91 66.1 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 121.296 -0.878 . . . . 0.0 113.305 -177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.39 -14.28 61.82 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.26 0.933 . . . . 0.0 114.964 171.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.35 29.97 2.68 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.443 1.497 . . . . 0.0 113.32 177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -123.07 136.39 59.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 126.03 1.732 . . . . 0.0 110.654 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.0 m -130.77 19.56 5.09 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.344 1.458 . . . . 0.0 113.046 -172.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -149.36 161.22 42.5 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.429 1.892 . . . . 0.0 111.431 -169.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.89 45.89 0.75 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.714 1.605 . . . . 0.0 114.61 -171.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m 57.19 87.45 0.06 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.848 2.059 . . . . 0.0 112.619 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -76.43 29.94 0.12 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.347 1.459 . . . . 0.0 114.548 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.13 -9.68 17.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.067 2.147 . . . . 0.0 112.924 171.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -75.38 154.93 36.92 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.039 1.336 . . . . 0.0 111.883 174.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -67.95 153.51 43.58 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.296 1.038 . . . . 0.0 113.476 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -150.9 167.48 27.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.41 1.484 . . . . 0.0 114.493 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.5 mt -72.7 160.11 32.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.216 1.006 . . . . 0.0 109.719 158.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 58.16 75.42 0.54 Allowed Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 125.625 1.57 . . . . 0.0 112.822 -173.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.45 111.27 0.67 Allowed 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 124.849 3.7 . . . . 0.0 114.004 -173.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 -141.17 169.23 17.99 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.862 2.065 . . . . 0.0 112.686 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.0 105.94 8.07 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 127.07 2.148 . . . . 0.0 108.87 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.6 mm -85.8 106.21 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 157.1 16.06 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.339 0.656 . . . . 0.0 110.462 172.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.6 mtm-85 -110.48 151.18 27.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.715 1.206 . . . . 0.0 110.614 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -141.47 142.24 33.63 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.027 0.931 . . . . 0.0 111.788 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -110.0 125.95 53.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.378 1.871 . . . . 0.0 111.485 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.3 p -80.65 178.07 8.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.947 1.299 . . . . 0.0 111.875 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.3 -16.0 61.9 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.22 1.6 56.29 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 119.132 0.878 . . . . 0.0 112.704 170.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.39 8.33 86.41 Favored Glycine 0 N--CA 1.468 0.816 0 C-N-CA 125.106 1.336 . . . . 0.0 114.787 -168.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.82 119.99 20.57 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.039 1.42 . . . . 0.0 109.127 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -102.52 130.15 49.27 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.835 0.854 . . . . 0.0 111.969 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -130.06 164.07 25.16 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.855 1.662 . . . . 0.0 112.22 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -110.05 136.43 49.32 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.123 1.369 . . . . 0.0 111.872 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.96 109.95 21.95 Favored Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 125.075 1.35 . . . . 0.0 110.773 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -71.42 130.07 16.79 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.423 3.415 . . . . 0.0 112.339 169.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.48 140.79 49.14 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.363 1.865 . . . . 0.0 111.517 171.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.31 160.85 22.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.004 0.921 . . . . 0.0 111.409 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.23 -20.0 56.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.437 1.095 . . . . 0.0 113.632 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -71.97 -12.66 61.35 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.999 1.32 . . . . 0.0 113.546 172.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.45 23.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.69 1.996 . . . . 0.0 112.644 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -133.15 142.6 48.75 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.124 1.37 . . . . 0.0 111.379 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -58.36 110.07 2.31 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 128.1 2.56 . . . . 0.0 111.689 -173.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -71.84 149.44 53.89 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.302 2.668 . . . . 0.0 110.581 169.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.94 15.39 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.43 1.49 . . . . 0.0 115.409 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.92 41.08 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.143 0.972 . . . . 0.0 112.01 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -156.5 148.05 22.59 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.127 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 124.27 23.31 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.886 -1.134 . . . . 0.0 111.653 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.7 m -95.07 165.43 12.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.692 1.197 . . . . 0.0 112.894 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -64.6 -18.74 65.17 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -174.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -67.3 -17.05 64.61 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.519 1.128 . . . . 0.0 113.147 172.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 14.66 58.95 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.162 1.363 . . . . 0.0 113.684 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -116.53 148.07 41.19 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.01 1.724 . . . . 0.0 110.982 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.45 110.06 3.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.427 0.632 . . . . 0.0 110.257 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.6 149.08 26.81 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.295 0.95 . . . . 0.0 112.417 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.6 m -106.83 138.33 43.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.013 0.925 . . . . 0.0 111.664 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 121.8 12.79 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.146 1.778 . . . . 0.0 111.839 -172.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 156.05 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 125.971 1.708 . . . . 0.0 112.056 173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -141.3 135.16 30.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.468 1.107 . . . . 0.0 111.0 168.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.46 18.6 0.09 OUTLIER Glycine 0 CA--C 1.535 1.343 0 N-CA-C 115.044 0.778 . . . . 0.0 115.044 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -91.41 19.69 5.89 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.405 1.482 . . . . 0.0 114.7 -171.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.9 mt -130.11 147.16 64.52 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.233 1.813 . . . . 0.0 111.129 169.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.74 -46.18 0.14 Allowed 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.616 2.211 . . . . 0.0 112.722 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -137.31 60.02 24.76 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.83 1.652 . . . . 0.0 111.512 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.2 145.54 66.83 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.354 2.703 . . . . 0.0 113.7 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -78.48 -23.13 46.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.89 1.276 . . . . 0.0 112.336 167.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -68.71 114.86 7.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.375 1.87 . . . . 0.0 111.193 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 t -144.19 143.58 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 126.293 1.837 . . . . 0.0 108.87 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -64.06 139.07 97.59 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 123.9 0.88 . . . . 0.0 111.741 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -65.8 162.05 36.49 Favored 'Trans proline' 0 CA--C 1.55 1.283 0 C-N-CA 123.046 2.497 . . . . 0.0 112.786 172.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -64.18 150.35 71.69 Favored 'Cis proline' 0 C--N 1.353 0.767 0 CA-C-N 119.649 0.91 . . . . 0.0 114.362 -0.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.49 1.516 . . . . 0.0 112.052 -172.015 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.9 tpt -64.31 139.65 58.79 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.662 1.185 . . . . 0.0 110.93 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.02 129.38 37.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 128.878 2.871 . . . . 0.0 114.129 2.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -143.18 25.12 1.76 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.633 1.573 . . . . 0.0 112.16 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -135.18 161.01 36.55 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.066 1.747 . . . . 0.0 111.869 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.82 22.85 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.792 1.637 . . . . 0.0 114.099 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.56 148.23 50.82 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.726 1.21 . . . . 0.0 112.775 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -112.67 168.64 9.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.701 2.0 . . . . 0.0 111.949 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.94 -6.08 47.22 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.444 1.497 . . . . 0.0 115.634 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t -82.09 118.53 23.1 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.777 1.289 . . . . 0.0 110.246 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -146.63 25.13 1.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 129.826 3.25 . . . . 0.0 113.544 -4.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp 52.97 35.87 20.44 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.398 1.879 . . . . 0.0 113.472 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.52 163.94 27.17 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.889 1.709 . . . . 0.0 112.062 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.31 30.26 7.78 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.372 1.469 . . . . 0.0 114.875 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -147.56 148.88 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.089 1.756 . . . . 0.0 110.976 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m -87.66 130.55 34.75 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.391 1.076 . . . . 0.0 112.687 -171.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -155.91 168.7 26.4 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.064 1.746 . . . . 0.0 111.619 175.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.04 109.97 1.23 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.203 1.001 . . . . 0.0 111.336 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.5 m -120.16 138.8 53.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.745 1.618 . . . . 0.0 111.016 -173.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -83.07 56.63 3.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.274 1.43 . . . . 0.0 112.653 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . 0.251 33.3 ptt180 48.93 29.65 2.43 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 127.526 2.33 . . . . 0.0 115.69 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -125.97 147.67 49.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.851 1.261 . . . . 0.0 113.897 -171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -125.84 23.27 7.3 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.248 1.819 . . . . 0.0 110.825 164.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -157.04 170.79 21.73 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.168 2.587 . . . . 0.0 111.873 -170.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.09 157.14 26.76 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.312 0.645 . . . . 0.0 110.021 157.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 50.0 61.03 14.37 Favored Pre-proline 0 CA--C 1.558 1.251 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.03 151.58 49.26 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 124.356 3.371 . . . . 0.0 114.486 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -141.15 167.87 21.14 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.969 1.707 . . . . 0.0 115.422 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.54 106.66 6.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.448 2.699 . . . . 0.0 109.745 -176.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.08 108.06 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 121.299 -0.876 . . . . 0.0 108.705 172.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.87 162.81 13.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.034 0.934 . . . . 0.0 110.671 163.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -120.67 150.13 41.41 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.074 1.35 . . . . 0.0 111.474 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.92 139.43 34.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.484 1.113 . . . . 0.0 112.076 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -106.47 125.8 51.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.553 1.941 . . . . 0.0 111.25 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.4 p -81.71 177.84 8.67 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.663 1.185 . . . . 0.0 111.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.84 -15.01 61.62 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.0 0.58 56.54 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 119.101 0.864 . . . . 0.0 112.539 169.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.49 7.19 87.86 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 125.404 1.478 . . . . 0.0 114.901 -167.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -74.14 120.04 19.16 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.77 1.285 . . . . 0.0 109.067 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.47 130.34 49.25 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.797 0.839 . . . . 0.0 111.989 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -127.73 164.22 22.6 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.133 1.773 . . . . 0.0 111.678 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.05 134.14 54.66 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.115 1.366 . . . . 0.0 110.255 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -122.18 110.05 32.98 Favored Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 124.744 1.217 . . . . 0.0 110.362 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.6 120.5 4.8 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.511 2.808 . . . . 0.0 111.559 172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -103.4 144.02 31.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 126.622 1.969 . . . . 0.0 111.11 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.81 157.68 23.08 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.178 -0.951 . . . . 0.0 111.569 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.73 -20.13 46.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.255 1.422 . . . . 0.0 113.993 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -84.1 -11.65 56.32 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.48 160.96 15.01 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.621 1.968 . . . . 0.0 112.017 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -131.9 138.55 48.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.859 1.264 . . . . 0.0 111.085 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -59.3 110.14 2.47 Favored Pre-proline 0 N--CA 1.471 0.594 0 C-N-CA 127.786 2.434 . . . . 0.0 111.688 -175.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -72.95 149.83 47.84 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 123.478 2.785 . . . . 0.0 111.023 167.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.99 -29.95 15.29 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.657 1.599 . . . . 0.0 115.207 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -139.91 160.7 39.32 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.116 0.958 . . . . 0.0 112.596 171.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -155.64 146.81 22.54 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.872 1.269 . . . . 0.0 112.525 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.86 123.91 22.67 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.731 -1.231 . . . . 0.0 111.754 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -98.19 163.87 12.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.015 1.326 . . . . 0.0 113.197 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.24 -13.29 62.14 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -173.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -66.89 -17.1 64.74 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 123.902 0.881 . . . . 0.0 112.549 167.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.35 18.13 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.32 1.438 . . . . 0.0 113.653 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.0 tpt -122.0 150.47 42.02 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.541 1.537 . . . . 0.0 111.056 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.69 110.0 3.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.607 -0.683 . . . . 0.0 110.3 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -81.88 148.05 26.92 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.713 1.149 . . . . 0.0 112.059 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.2 m -107.71 137.64 45.37 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.81 0.844 . . . . 0.0 111.866 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.77 120.91 9.84 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.541 1.536 . . . . 0.0 112.141 -176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.75 156.04 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.391 1.876 . . . . 0.0 110.499 174.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.64 104.28 0.12 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.383 1.073 . . . . 0.0 112.195 -175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.3 48.84 0.03 OUTLIER Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.667 1.603 . . . . 0.0 110.338 -170.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -157.72 149.28 21.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 127.62 2.368 . . . . 0.0 108.66 -162.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.49 143.51 90.39 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.385 1.074 . . . . 0.0 111.022 -177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -79.33 43.92 1.59 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.714 3.609 . . . . 0.0 112.509 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 37.36 59.84 4.09 Favored Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 128.502 2.721 . . . . 0.0 113.473 -172.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -83.98 59.82 6.22 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 123.351 2.701 . . . . 0.0 113.551 -164.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -164.47 -36.73 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 128.229 2.611 . . . . 0.0 111.299 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -67.38 134.48 51.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.041 2.136 . . . . 0.0 112.676 -174.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -137.42 134.76 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.924 1.689 . . . . 0.0 109.635 174.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -137.64 149.6 65.41 Favored Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 125.85 1.66 . . . . 0.0 111.034 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.17 154.2 66.32 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.186 2.59 . . . . 0.0 112.266 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.75 145.27 56.67 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.329 2.686 . . . . 0.0 112.088 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 126.266 1.826 . . . . 0.0 111.719 179.189 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.27 156.57 48.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.565 1.546 . . . . 0.0 111.476 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.43 152.89 41.7 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.991 0.916 . . . . 0.0 112.612 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -98.11 -24.58 15.25 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.523 1.529 . . . . 0.0 113.115 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 ptm85 -71.26 159.98 33.64 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.736 1.214 . . . . 0.0 113.432 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.19 19.86 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.217 1.407 . . . . 0.0 112.96 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.34 164.4 27.84 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.244 1.818 . . . . 0.0 111.851 -174.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -99.68 167.85 10.31 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.556 1.542 . . . . 0.0 112.502 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.36 7.2 76.7 Favored Glycine 0 CA--C 1.538 1.503 0 N-CA-C 117.222 1.649 . . . . 0.0 117.222 167.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -149.92 168.03 24.95 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.372 1.586 . . . . 0.0 112.481 173.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -99.58 -18.25 17.44 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -172.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.01 147.18 53.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.066 0.947 . . . . 0.0 112.29 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.29 17.11 73.9 Favored Glycine 0 CA--C 1.537 1.424 0 N-CA-C 114.981 0.752 . . . . 0.0 114.981 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.74 167.65 24.99 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.769 1.628 . . . . 0.0 111.913 176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 m -133.77 148.87 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 125.78 1.632 . . . . 0.0 111.451 176.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 p -83.3 155.23 23.71 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 128.071 2.548 . . . . 0.0 112.749 -6.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -122.37 0.2 9.42 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.459 1.504 . . . . 0.0 113.858 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 55.0 20.87 3.41 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.395 2.278 . . . . 0.0 115.635 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m 52.54 28.15 5.75 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.62 1.568 . . . . 0.0 113.104 -171.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -77.41 134.2 38.47 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.28 . . . . 0.0 111.898 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -136.21 63.63 1.58 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.466 1.506 . . . . 0.0 111.579 -170.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -65.12 161.67 18.53 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.116 0.967 . . . . 0.0 112.446 173.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -85.52 145.3 27.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.076 0.95 . . . . 0.0 111.794 171.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -145.08 158.52 43.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.263 1.825 . . . . 0.0 111.177 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -134.8 155.34 50.79 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.94 1.696 . . . . 0.0 111.455 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.8 151.45 53.21 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 125.64 1.576 . . . . 0.0 111.144 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.52 69.84 7.78 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 123.561 2.84 . . . . 0.0 111.754 -176.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -141.06 167.08 23.05 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.722 1.609 . . . . 0.0 114.273 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.61 112.79 11.74 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 128.419 2.688 . . . . 0.0 108.832 179.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.93 110.04 20.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.1 161.16 13.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.822 0.849 . . . . 0.0 111.226 165.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -116.33 150.2 38.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.329 1.452 . . . . 0.0 110.727 170.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.01 142.77 36.25 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.302 1.041 . . . . 0.0 111.694 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -110.12 124.61 51.84 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.94 2.096 . . . . 0.0 110.932 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 57.9 p -80.26 178.89 7.96 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.995 1.318 . . . . 0.0 111.672 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.29 -16.63 61.37 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.2 1.94 54.95 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.155 0.889 . . . . 0.0 112.723 170.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.42 8.85 87.15 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.202 1.382 . . . . 0.0 114.791 -168.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.71 119.93 18.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.636 1.218 . . . . 0.0 108.478 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.43 129.47 48.94 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.475 0.71 . . . . 0.0 111.731 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -125.0 162.53 24.33 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.572 1.549 . . . . 0.0 111.367 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.91 137.94 46.99 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.392 1.077 . . . . 0.0 110.839 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.5 110.03 26.01 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 124.808 1.243 . . . . 0.0 110.184 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -72.42 130.03 15.62 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.882 3.055 . . . . 0.0 111.24 168.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -114.14 143.94 43.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 126.22 1.808 . . . . 0.0 110.714 171.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.46 157.92 19.7 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.092 -1.005 . . . . 0.0 111.388 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.1 -19.97 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -80.58 -12.47 59.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.66 174.95 5.66 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 127.327 2.251 . . . . 0.0 112.318 175.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -138.17 163.71 31.0 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.853 1.661 . . . . 0.0 111.526 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -83.68 110.12 22.89 Favored Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.645 2.378 . . . . 0.0 111.028 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -72.33 151.82 54.59 Favored 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 123.617 2.878 . . . . 0.0 110.964 166.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -30.01 14.97 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.555 1.55 . . . . 0.0 115.203 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -139.91 159.42 42.23 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.154 0.977 . . . . 0.0 112.777 172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -157.67 148.12 20.83 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.131 1.372 . . . . 0.0 112.605 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 122.43 18.24 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.958 -1.089 . . . . 0.0 111.933 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.4 m -86.95 161.86 18.01 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.434 1.093 . . . . 0.0 112.08 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -17.23 63.71 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.797 0.839 . . . . 0.0 112.803 -173.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -65.64 -17.08 64.33 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.065 1.346 . . . . 0.0 113.208 169.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 12.52 59.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 125.327 1.441 . . . . 0.0 113.84 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.3 tpt -112.28 148.1 34.87 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.98 1.312 . . . . 0.0 111.329 176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.11 110.07 3.28 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.712 0.805 . . . . 0.0 110.307 174.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.15 148.55 21.51 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.441 1.02 . . . . 0.0 112.766 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.9 m -105.86 140.04 39.49 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.866 -0.785 . . . . 0.0 111.609 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.2 tp -58.37 120.82 9.43 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.507 1.523 . . . . 0.0 113.467 -175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.4 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -134.12 155.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 126.2 1.8 . . . . 0.0 111.072 174.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -142.46 135.76 28.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.424 1.089 . . . . 0.0 110.798 172.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.3 5.05 0.04 OUTLIER Glycine 0 CA--C 1.539 1.542 0 N-CA-C 117.205 1.642 . . . . 0.0 117.205 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -150.8 142.91 24.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.439 1.619 . . . . 0.0 109.878 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.1 mp -41.63 107.5 0.51 Allowed Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 129.88 3.272 . . . . 0.0 114.204 -173.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -76.69 51.29 3.28 Favored 'Trans proline' 0 CA--C 1.547 1.174 0 C-N-CA 124.702 3.601 . . . . 0.0 112.505 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 49.88 68.73 3.18 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 127.042 2.137 . . . . 0.0 111.052 -154.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . 0.286 0.6 OUTLIER 38.23 165.41 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.744 1 C-N-CA 127.577 5.518 . . . . 0.0 119.186 -151.403 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -69.37 149.81 47.99 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.408 -0.808 . . . . 0.0 113.117 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -113.7 148.69 35.93 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.121 1.768 . . . . 0.0 108.841 169.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.48 161.94 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.272 1.029 . . . . 0.0 113.192 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt 50.02 79.46 0.34 Allowed Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 127.043 2.137 . . . . 0.0 114.897 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -72.83 142.84 75.82 Favored 'Cis proline' 0 CA--C 1.542 0.896 0 CA-C-N 119.637 0.906 . . . . 0.0 113.378 0.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -71.86 178.56 5.69 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.949 3.1 . . . . 0.0 112.167 173.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 124.83 1.252 . . . . 0.0 112.573 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 111.546 0.202 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.8 ttt 55.5 91.64 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.013 2.125 . . . . 0.0 113.699 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.65 -21.1 28.54 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.155 0.982 . . . . 0.0 113.063 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -82.1 50.96 1.67 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.206 2.202 . . . . 0.0 112.762 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.9 mtp85 -77.44 28.73 0.15 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.869 2.067 . . . . 0.0 114.354 -171.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.98 158.43 4.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 127.016 2.127 . . . . 0.0 112.041 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.83 149.33 36.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.389 1.476 . . . . 0.0 111.865 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -143.08 146.09 33.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.521 1.928 . . . . 0.0 110.722 -174.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.84 -49.37 2.09 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.64 1.591 . . . . 0.0 114.606 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.4 p -58.54 -29.56 66.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.788 1.635 . . . . 0.0 113.789 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -70.85 -12.0 61.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.677 1.991 . . . . 0.0 114.146 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.35 -37.44 83.24 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.378 1.071 . . . . 0.0 111.091 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.56 10.26 82.56 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 116.944 1.538 . . . . 0.0 116.944 165.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 169.26 7.04 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 119.049 1.424 . . . . 0.0 113.618 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.86 149.24 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.0 1.72 . . . . 0.0 111.382 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -73.49 160.63 31.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 128.459 2.703 . . . . 0.0 113.294 -3.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.51 164.09 31.91 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.793 1.637 . . . . 0.0 111.301 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.49 50.95 1.26 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.527 1.531 . . . . 0.0 110.754 -174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p 60.82 4.0 0.72 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.353 2.261 . . . . 0.0 115.67 -169.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -82.07 29.84 0.4 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.229 1.812 . . . . 0.0 114.815 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -98.8 -5.86 30.37 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.733 1.613 . . . . 0.0 113.73 168.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -135.36 139.23 44.08 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.144 1.778 . . . . 0.0 110.087 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -141.29 161.51 37.71 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.118 1.367 . . . . 0.0 112.654 -168.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 60.65 170.39 0.09 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 127.078 2.151 . . . . 0.0 115.169 -172.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.4 mt -129.39 154.09 47.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.183 1.793 . . . . 0.0 110.791 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 49.91 70.37 2.09 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 126.696 1.998 . . . . 0.0 114.618 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -64.3 172.49 6.37 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.835 3.023 . . . . 0.0 113.848 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -140.9 164.52 30.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.28 1.432 . . . . 0.0 114.2 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.86 110.52 9.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 128.386 2.674 . . . . 0.0 108.795 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.27 103.63 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 121.376 -0.828 . . . . 0.0 109.11 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 164.23 12.65 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.699 0.761 . . . . 0.0 110.0 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.01 147.96 51.82 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.744 1.218 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -138.51 138.17 37.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.755 0.822 . . . . 0.0 112.137 -175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -104.14 124.96 50.03 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.352 1.461 . . . . 0.0 111.669 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.3 177.47 8.81 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.936 1.294 . . . . 0.0 111.707 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.67 -15.79 61.7 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.59 2.03 56.21 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.292 0.951 . . . . 0.0 112.703 171.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.31 5.64 86.97 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 125.16 1.362 . . . . 0.0 114.984 -168.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.18 120.1 20.22 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.962 1.381 . . . . 0.0 109.381 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -102.56 130.6 49.46 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.778 0.831 . . . . 0.0 111.827 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -129.01 163.46 25.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.731 1.612 . . . . 0.0 111.973 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.97 138.97 45.6 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.118 1.367 . . . . 0.0 111.506 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.8 t -128.84 109.78 18.57 Favored Pre-proline 0 N--CA 1.473 0.723 0 C-N-CA 125.211 1.404 . . . . 0.0 110.459 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -70.32 130.02 17.96 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 124.18 3.253 . . . . 0.0 111.861 169.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.56 142.5 46.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.201 1.801 . . . . 0.0 111.26 171.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.29 159.34 20.95 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.316 -0.865 . . . . 0.0 111.244 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.61 -19.93 59.22 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.546 1.139 . . . . 0.0 113.62 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.95 -14.18 61.84 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.95 1.3 . . . . 0.0 113.358 172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.52 162.9 16.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.659 1.984 . . . . 0.0 112.593 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.22 139.16 49.64 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.044 1.338 . . . . 0.0 111.175 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.63 110.26 2.77 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 128.073 2.549 . . . . 0.0 111.69 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -71.07 149.96 59.46 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.295 2.664 . . . . 0.0 110.8 168.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.03 -29.95 15.52 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.538 1.542 . . . . 0.0 115.06 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.8 p -140.08 160.33 40.18 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 112.695 172.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -156.33 148.05 22.83 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.131 1.372 . . . . 0.0 112.033 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 125.51 27.0 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 120.906 -1.122 . . . . 0.0 111.575 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.7 m -92.74 163.78 13.62 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.693 1.197 . . . . 0.0 112.801 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -66.34 -14.77 62.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.53 -17.05 64.52 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.223 1.009 . . . . 0.0 112.97 169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.98 12.7 61.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.078 1.323 . . . . 0.0 113.572 -173.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.0 tpp -114.55 148.45 37.97 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.753 1.621 . . . . 0.0 111.544 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.18 110.04 3.31 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.946 0.898 . . . . 0.0 110.492 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.36 147.28 20.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.711 1.148 . . . . 0.0 112.619 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 84.6 m -108.82 137.65 46.41 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.819 0.848 . . . . 0.0 111.951 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.66 125.18 22.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.484 1.514 . . . . 0.0 113.187 -173.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.62 148.22 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.517 1.527 . . . . 0.0 111.113 172.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -85.34 95.86 9.36 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.598 0.713 . . . . 0.0 111.038 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -76.29 69.29 2.27 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.098 1.332 . . . . 0.0 112.558 176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.5 t70 62.41 47.5 5.17 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.165 1.786 . . . . 0.0 113.252 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HA ' ' H ' ' A' ' 72' ' ' GLU . 3.8 mm? -110.24 159.25 32.72 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 126.08 1.752 . . . . 0.0 111.194 169.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -87.66 80.1 0.06 OUTLIER 'Cis proline' 0 CA--C 1.544 0.994 0 C-N-CA 130.236 1.349 . . . . 0.0 112.538 0.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.418 ' H ' ' HA ' ' A' ' 70' ' ' LEU . 47.7 mt-10 38.31 61.28 4.68 Favored Pre-proline 0 CA--C 1.553 1.087 0 C-N-CA 127.236 2.214 . . . . 0.0 114.131 -165.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.46 151.09 63.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 123.344 2.696 . . . . 0.0 114.098 -178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -141.18 143.42 34.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.488 1.515 . . . . 0.0 111.688 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.32 155.59 43.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.7 2.0 . . . . 0.0 110.562 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.2 m -138.26 158.24 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.492 1.517 . . . . 0.0 112.023 -177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.95 154.13 77.75 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 124.854 1.262 . . . . 0.0 112.012 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.66 152.94 98.86 Favored 'Cis proline' 0 CA--C 1.547 1.154 0 CA-C-N 119.431 0.833 . . . . 0.0 112.676 -4.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -76.31 -15.47 17.94 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.54 2.827 . . . . 0.0 114.106 -177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.048 1.739 . . . . 0.0 112.123 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.3 ttt -67.63 -17.98 64.8 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -172.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.67 -3.88 30.92 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.373 1.469 . . . . 0.0 114.387 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -65.53 -24.12 67.04 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.671 1.188 . . . . 0.0 113.781 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -137.75 164.31 29.19 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.857 1.263 . . . . 0.0 112.974 -166.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t 54.28 29.43 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 126.405 1.882 . . . . 0.0 113.215 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp 51.74 26.78 3.67 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 126.256 1.822 . . . . 0.0 113.959 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -70.8 141.56 51.37 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.152 1.381 . . . . 0.0 112.245 -173.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.84 177.12 42.8 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.629 1.109 . . . . 0.0 113.505 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -85.16 154.85 21.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.403 1.081 . . . . 0.0 112.469 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -137.01 139.31 41.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.731 1.613 . . . . 0.0 110.945 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -93.16 -24.48 18.22 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.457 1.281 . . . . 0.0 114.457 -171.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.42 162.26 28.87 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 123.834 0.731 . . . . 0.0 114.285 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 61.13 157.44 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.325 2.25 . . . . 0.0 115.42 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.18 -14.55 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 125.381 1.472 . . . . 0.0 113.721 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -142.39 130.75 22.28 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.34 1.456 . . . . 0.0 110.305 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -160.9 -40.17 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.256 1.423 . . . . 0.0 112.949 -168.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -159.36 27.52 0.2 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.286 2.234 . . . . 0.0 110.962 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -86.93 -4.82 59.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.911 1.284 . . . . 0.0 113.361 -167.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -77.82 29.98 0.16 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.407 2.283 . . . . 0.0 114.621 -175.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -78.88 153.62 30.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.655 1.582 . . . . 0.0 111.894 174.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.39 28.94 6.44 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.326 1.45 . . . . 0.0 112.519 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -69.37 -33.69 73.44 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 112.341 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -105.13 169.99 8.13 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.945 1.698 . . . . 0.0 111.891 170.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 mp -71.13 123.57 22.45 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.73 1.212 . . . . 0.0 109.775 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.07 66.65 16.67 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.725 1.21 . . . . 0.0 111.568 -174.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.63 115.3 3.14 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.181 3.254 . . . . 0.0 110.554 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -141.12 167.15 22.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.346 1.458 . . . . 0.0 114.819 -170.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.31 115.49 17.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 128.621 2.768 . . . . 0.0 108.813 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.94 107.44 18.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 124.317 1.047 . . . . 0.0 109.211 175.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.59 14.82 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.625 0.77 . . . . 0.0 110.516 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -116.84 149.14 40.52 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.899 1.28 . . . . 0.0 109.721 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -137.46 137.36 38.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.855 0.862 . . . . 0.0 111.927 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -104.04 123.46 47.25 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.371 1.468 . . . . 0.0 111.539 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.5 p -78.64 178.19 8.03 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.166 1.386 . . . . 0.0 111.765 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -73.16 -15.92 61.45 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -91.19 3.01 55.9 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.238 0.926 . . . . 0.0 112.668 171.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 5.77 88.27 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.2 1.381 . . . . 0.0 114.916 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.37 120.04 20.28 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.806 1.303 . . . . 0.0 109.229 -177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.45 129.59 49.0 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.796 0.838 . . . . 0.0 111.941 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 59' ' ' ASN . 95.8 m-85 -127.47 163.04 24.97 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.555 1.542 . . . . 0.0 111.651 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -109.95 138.41 46.36 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.433 1.093 . . . . 0.0 110.33 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.2 t -123.13 110.02 31.25 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 124.621 1.169 . . . . 0.0 109.45 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.82 128.34 11.55 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.353 2.702 . . . . 0.0 110.803 172.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -115.41 140.66 48.94 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.429 1.492 . . . . 0.0 110.955 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.91 159.82 22.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.191 -0.943 . . . . 0.0 111.531 178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.42 -19.88 57.74 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.265 1.026 . . . . 0.0 113.68 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -73.83 -12.44 60.68 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.984 1.314 . . . . 0.0 113.48 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.5 174.37 6.59 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.144 2.178 . . . . 0.0 112.736 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -136.59 164.19 28.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.052 1.741 . . . . 0.0 111.696 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -86.35 110.05 28.28 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 127.651 2.38 . . . . 0.0 111.066 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.48 151.64 53.49 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.703 2.935 . . . . 0.0 111.093 166.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.91 15.79 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.755 1.645 . . . . 0.0 115.323 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -139.95 159.94 41.04 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.089 0.955 . . . . 0.0 112.724 171.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -157.13 147.98 21.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.316 1.446 . . . . 0.0 111.839 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 125.93 28.18 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.858 -1.151 . . . . 0.0 111.632 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.3 m -89.02 161.04 16.8 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.44 1.096 . . . . 0.0 112.187 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -64.09 -16.79 62.53 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 42.9 t30 -65.1 -17.12 64.2 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.979 1.312 . . . . 0.0 113.099 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 12.06 62.59 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.195 1.378 . . . . 0.0 113.484 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.6 tpp -114.87 147.02 40.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.335 1.454 . . . . 0.0 111.555 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.58 110.13 3.56 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.008 0.923 . . . . 0.0 110.549 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.5 148.65 20.68 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.779 1.18 . . . . 0.0 112.971 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.5 m -109.55 138.18 46.29 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 112.037 174.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.04 124.52 18.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.647 1.579 . . . . 0.0 114.75 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.21 156.14 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 127.763 2.425 . . . . 0.0 109.258 166.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.42 110.98 1.6 Allowed 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.815 -1.178 . . . . 0.0 113.295 -170.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.85 -7.25 62.95 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 125.376 1.465 . . . . 0.0 114.753 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -88.65 20.0 3.67 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.596 1.558 . . . . 0.0 113.734 -171.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mp -70.46 158.29 88.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 125.813 1.645 . . . . 0.0 112.581 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -76.47 -14.46 26.42 Favored 'Cis proline' 0 C--N 1.356 0.969 0 N-CA-C 116.557 1.714 . . . . 0.0 116.557 7.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -125.68 66.31 55.77 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.575 1.55 . . . . 0.0 112.427 -170.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -65.67 141.74 67.56 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.361 2.708 . . . . 0.0 113.615 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -77.18 143.08 39.31 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.732 1.213 . . . . 0.0 111.717 177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -85.45 64.15 8.48 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.185 0.994 . . . . 0.0 112.449 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.8 m -88.88 29.9 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 125.079 1.352 . . . . 0.0 112.392 169.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -136.04 133.71 19.89 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 126.788 2.035 . . . . 0.0 109.955 -175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.2 154.32 63.81 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 122.952 2.435 . . . . 0.0 114.422 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -71.47 138.36 52.71 Favored 'Cis proline' 0 CA--C 1.54 0.801 0 CA-C-N 119.106 0.717 . . . . 0.0 112.767 -4.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.543 -1.218 . . . . 0.0 112.079 -176.586 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.336 0.113 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.3 ttt -121.42 11.33 10.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.906 1.683 . . . . 0.0 112.96 173.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.32 65.02 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -170.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -88.08 -11.94 45.63 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 -178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -143.12 167.13 22.82 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -166.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG22 ' H ' ' A' ' 7' ' ' LEU 0.32 0.3 OUTLIER 59.43 170.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 128.383 2.673 . . . . 0.0 114.398 -171.782 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' HG22 ' A' ' 6' ' ' VAL . 90.1 mt -66.54 166.49 12.57 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.851 1.661 . . . . 0.0 113.841 -175.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mmt-85 -133.11 157.02 46.34 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.516 1.926 . . . . 0.0 111.282 178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.93 173.08 45.56 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.294 0.949 . . . . 0.0 113.75 175.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -63.51 -16.86 61.91 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -173.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -85.12 20.78 1.82 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.903 1.681 . . . . 0.0 113.94 176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.2 -6.52 18.4 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.24 -177.91 53.11 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.054 1.312 . . . . 0.0 115.594 170.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.1 157.53 27.95 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.326 1.05 . . . . 0.0 112.88 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.3 138.54 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.207 1.003 . . . . 0.0 111.277 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -123.89 149.41 45.87 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.701 1.6 . . . . 0.0 111.487 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 18' ' ' GLU . 4.1 m-85 -123.42 -12.1 7.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 119.593 3.182 . . . . 0.0 119.593 -165.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 17' ' ' TYR . 45.9 mt-10 -54.01 -45.16 71.43 Favored 'General case' 0 N--CA 1.477 0.887 1 C-N-CA 132.683 4.393 . . . . 0.0 112.537 -12.391 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 p -143.3 154.87 44.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.378 2.271 . . . . 0.0 111.253 165.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -147.75 164.85 32.31 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.336 1.454 . . . . 0.0 111.421 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.3 ptm85 -61.51 146.15 49.58 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.211 1.004 . . . . 0.0 112.586 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -146.19 -68.84 0.27 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.816 1.646 . . . . 0.0 110.094 -176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -78.31 163.23 25.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.182 0.993 . . . . 0.0 108.945 144.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -80.75 -178.8 6.96 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.605 1.162 . . . . 0.0 113.549 -173.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.27 70.02 1.62 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.624 1.569 . . . . 0.0 109.747 172.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -149.93 160.92 32.74 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 128.45 2.7 . . . . 0.0 110.273 -167.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.34 133.24 56.97 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.9 3.066 . . . . 0.0 113.17 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -141.14 169.52 17.45 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.471 1.909 . . . . 0.0 114.412 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.58 103.66 6.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.944 2.498 . . . . 0.0 109.289 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.06 110.01 13.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 171.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.83 160.04 14.58 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.983 0.913 . . . . 0.0 110.122 163.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -113.8 155.58 25.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.375 1.07 . . . . 0.0 110.268 170.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -142.79 141.43 31.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.82 0.848 . . . . 0.0 111.537 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -106.93 123.67 48.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.185 1.794 . . . . 0.0 111.414 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.2 p -77.58 178.21 7.45 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.298 1.439 . . . . 0.0 111.653 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.16 -15.96 61.97 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -91.34 3.53 54.68 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.233 0.924 . . . . 0.0 112.889 171.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 5.35 89.49 Favored Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.153 1.359 . . . . 0.0 114.62 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.83 120.14 19.0 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.486 1.143 . . . . 0.0 108.766 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -102.43 132.74 48.26 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.578 0.704 . . . . 0.0 111.94 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -126.85 163.17 24.21 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.985 1.714 . . . . 0.0 111.426 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.94 134.26 52.29 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.071 1.348 . . . . 0.0 110.158 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.4 t -121.27 110.03 34.63 Favored Pre-proline 0 N--CA 1.471 0.58 0 C-N-CA 124.554 1.142 . . . . 0.0 109.65 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.5 119.94 4.27 Favored 'Trans proline' 0 CA--C 1.542 0.897 0 C-N-CA 123.318 2.679 . . . . 0.0 111.293 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -102.75 142.76 33.35 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.931 1.692 . . . . 0.0 111.367 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.0 158.2 26.6 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.272 -0.893 . . . . 0.0 111.46 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -59.69 -19.99 53.35 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -75.83 -12.03 60.09 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.037 1.335 . . . . 0.0 113.474 172.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.95 173.51 7.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.991 2.117 . . . . 0.0 112.92 -175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -134.03 166.15 23.4 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.11 1.764 . . . . 0.0 111.602 174.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.6 mm -89.04 110.03 35.09 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 127.221 2.209 . . . . 0.0 110.115 -177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.22 151.46 54.81 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 123.683 2.922 . . . . 0.0 110.816 168.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.06 -29.89 15.58 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.634 1.587 . . . . 0.0 115.184 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.9 p -139.94 159.56 41.9 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.203 1.001 . . . . 0.0 112.494 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.9 148.01 21.98 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.362 1.465 . . . . 0.0 111.92 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.99 125.41 26.69 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.891 -1.13 . . . . 0.0 111.487 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.66 163.12 14.22 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.52 1.128 . . . . 0.0 112.5 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -68.38 -11.7 60.0 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -176.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.65 -17.14 64.04 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.626 1.17 . . . . 0.0 112.846 168.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.96 12.85 61.51 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.264 1.411 . . . . 0.0 113.582 -173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.1 tpp -114.22 147.18 39.37 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.46 1.504 . . . . 0.0 111.546 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -67.34 110.06 3.4 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.102 0.961 . . . . 0.0 110.45 174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.01 148.87 21.13 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.407 1.003 . . . . 0.0 112.851 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.8 m -108.41 138.01 45.42 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.984 0.914 . . . . 0.0 111.888 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.06 122.33 14.11 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.997 1.719 . . . . 0.0 111.682 -171.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.472 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -128.67 156.01 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.7 1.6 . . . . 0.0 111.607 171.35 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -76.53 141.38 41.22 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.453 0.701 . . . . 0.0 111.618 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.52 -20.1 76.83 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.2 t0 65.7 154.62 0.08 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.034 2.534 . . . . 0.0 116.21 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.72 161.32 67.32 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 127.259 2.223 . . . . 0.0 111.884 171.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.43 -22.17 16.29 Favored 'Cis proline' 0 C--N 1.353 0.806 0 N-CA-C 116.464 1.678 . . . . 0.0 116.464 12.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -127.4 69.56 74.98 Favored Pre-proline 0 N--CA 1.477 0.922 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 -167.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -69.38 148.44 67.52 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.503 2.135 . . . . 0.0 110.917 163.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -144.29 135.75 25.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.797 1.239 . . . . 0.0 112.225 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt 40.22 39.86 0.72 Allowed 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.557 2.343 . . . . 0.0 114.998 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.8 165.4 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.794 1.238 . . . . 0.0 113.024 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -58.93 158.55 16.32 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 124.57 1.148 . . . . 0.0 112.004 167.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.26 163.21 15.15 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.404 2.736 . . . . 0.0 112.941 170.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -67.57 158.11 84.14 Favored 'Cis proline' 0 CA--C 1.539 0.77 0 CA-C-N 119.744 0.944 . . . . 0.0 114.104 -3.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.408 1.483 . . . . 0.0 113.076 177.338 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 111.283 0.105 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.3 ttt -71.38 -32.86 68.95 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.994 2.517 . . . . 0.0 112.781 -0.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.49 159.32 19.34 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.84 1.256 . . . . 0.0 111.534 167.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.5 155.88 21.03 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 128.77 2.828 . . . . 0.0 113.615 -5.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -71.42 167.76 18.91 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 130.031 3.332 . . . . 0.0 113.561 -7.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.8 m -82.78 165.69 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.866 1.266 . . . . 0.0 111.644 175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt 54.07 46.44 25.44 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.418 1.887 . . . . 0.0 113.808 175.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -79.91 53.58 1.7 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.91 1.684 . . . . 0.0 111.213 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.45 -19.89 5.49 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.171 1.367 . . . . 0.0 113.564 -161.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.2 p -60.23 130.72 48.06 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.546 1.173 . . . . 0.0 111.116 169.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 51.83 22.81 1.83 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.949 1.7 . . . . 0.0 114.901 -174.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -138.88 -36.08 0.56 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.043 1.337 . . . . 0.0 113.465 -172.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.35 -171.06 47.07 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 124.214 0.911 . . . . 0.0 113.128 -170.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.29 132.86 42.47 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 121.937 -0.743 . . . . 0.0 111.34 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.1 m -136.44 148.9 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.765 1.626 . . . . 0.0 111.83 -178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -143.13 141.64 31.26 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.34 1.456 . . . . 0.0 111.546 -175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -153.51 149.07 27.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.38 1.472 . . . . 0.0 111.438 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.42 57.05 4.05 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.726 1.21 . . . . 0.0 111.491 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m 54.23 34.86 21.27 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.749 1.619 . . . . 0.0 112.996 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -70.71 133.79 46.92 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.975 1.31 . . . . 0.0 112.203 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.73 -18.04 39.2 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.586 1.554 . . . . 0.0 113.325 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.65 147.75 52.84 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.817 0.847 . . . . 0.0 112.412 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -139.58 161.92 36.34 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.421 1.488 . . . . 0.0 111.963 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -67.53 156.58 36.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.655 1.182 . . . . 0.0 113.464 178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.07 153.43 47.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.195 1.798 . . . . 0.0 110.559 174.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.77 154.06 74.4 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.157 1.383 . . . . 0.0 112.03 -177.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -78.27 69.98 7.37 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.372 3.382 . . . . 0.0 112.069 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -141.03 164.54 30.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.598 1.559 . . . . 0.0 114.6 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.4 102.02 5.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.194 2.597 . . . . 0.0 109.596 -173.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.02 108.2 16.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 121.243 -0.911 . . . . 0.0 108.554 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.88 165.14 12.24 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.765 1.226 . . . . 0.0 111.321 168.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -114.95 149.35 37.44 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.228 1.411 . . . . 0.0 111.001 171.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.12 142.98 38.05 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.033 0.933 . . . . 0.0 111.341 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -109.22 125.03 51.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.487 1.915 . . . . 0.0 111.009 -176.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.9 p -77.24 176.27 8.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.789 1.235 . . . . 0.0 111.277 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.3 -11.74 59.94 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.353 -0.842 . . . . 0.0 112.488 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.86 11.4 33.86 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.052 1.741 . . . . 0.0 111.61 175.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.61 -0.24 89.46 Favored Glycine 0 N--CA 1.472 1.084 0 C-N-CA 126.441 1.972 . . . . 0.0 114.945 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -83.39 120.12 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.457 0.703 . . . . 0.0 109.912 -167.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -102.43 130.84 49.33 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.521 0.677 . . . . 0.0 111.571 -177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -126.94 162.51 25.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.855 1.662 . . . . 0.0 111.401 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.0 136.39 49.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.918 1.287 . . . . 0.0 111.283 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.4 t -126.0 110.05 24.61 Favored Pre-proline 0 N--CA 1.475 0.793 0 C-N-CA 125.01 1.324 . . . . 0.0 111.087 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.45 125.45 10.16 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.066 3.178 . . . . 0.0 112.056 168.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -108.42 141.84 39.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.532 1.933 . . . . 0.0 111.263 170.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.94 158.9 23.74 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.349 -0.845 . . . . 0.0 110.92 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.16 -19.99 56.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.434 1.094 . . . . 0.0 113.627 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.96 -13.35 61.6 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.933 1.293 . . . . 0.0 113.23 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.52 161.19 20.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.984 2.114 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.94 139.96 50.11 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.942 1.297 . . . . 0.0 111.06 172.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -55.68 110.15 2.08 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 127.737 2.415 . . . . 0.0 111.752 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.08 150.26 53.84 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.27 2.646 . . . . 0.0 110.786 168.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.13 -29.84 15.92 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.622 1.582 . . . . 0.0 115.096 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -139.99 159.98 40.95 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.066 0.933 . . . . 0.0 112.841 172.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -156.88 148.02 22.02 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.183 1.393 . . . . 0.0 112.402 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.94 125.8 27.83 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.763 -1.211 . . . . 0.0 111.791 -178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 83.6 m -95.07 164.02 13.06 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.699 1.199 . . . . 0.0 113.081 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -68.89 -13.88 62.69 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -68.87 -17.22 63.95 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 118.812 0.733 . . . . 0.0 112.511 168.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.92 14.66 54.58 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.544 1.545 . . . . 0.0 113.901 -177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.8 tpt -113.98 145.53 41.41 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.736 1.614 . . . . 0.0 111.262 176.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.57 110.03 1.03 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.163 0.985 . . . . 0.0 110.315 169.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.68 147.73 21.41 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.425 1.012 . . . . 0.0 112.135 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.9 m -105.24 140.4 38.45 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.834 -0.804 . . . . 0.0 111.304 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 tp -59.65 122.67 14.69 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.032 1.333 . . . . 0.0 112.313 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -128.6 155.96 40.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 125.38 1.472 . . . . 0.0 112.51 178.022 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -79.01 144.59 34.54 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.761 0.824 . . . . 0.0 111.382 169.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.17 -37.7 0.2 Allowed Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 113.079 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -147.66 125.24 11.74 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.454 1.502 . . . . 0.0 109.386 164.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 mp -118.67 152.29 51.11 Favored Pre-proline 0 CA--C 1.547 0.833 0 C-N-CA 125.712 1.605 . . . . 0.0 111.164 -172.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -80.56 38.28 0.74 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.595 3.53 . . . . 0.0 112.667 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 37.45 59.89 4.17 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 127.942 2.497 . . . . 0.0 114.309 -170.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -63.61 138.23 63.5 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.06 2.507 . . . . 0.0 110.507 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt 44.8 27.62 0.28 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.661 1.985 . . . . 0.0 115.334 -168.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? 49.21 39.8 16.43 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 126.546 1.938 . . . . 0.0 112.631 -168.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.5 t 52.1 29.82 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 128.055 2.542 . . . . 0.0 114.108 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -67.08 158.96 79.43 Favored Pre-proline 0 N--CA 1.479 1.003 0 O-C-N 120.903 -1.123 . . . . 0.0 112.577 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -64.07 162.27 60.22 Favored 'Cis proline' 0 CA--C 1.544 1.004 0 CA-C-N 120.392 1.176 . . . . 0.0 115.131 1.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.01 151.03 44.07 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 124.121 3.214 . . . . 0.0 114.446 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.563 1.545 . . . . 0.0 112.474 -166.83 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.914 0.388 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 148.4 50.48 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.005 0.922 . . . . 0.0 113.012 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.17 22.89 3.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 126.227 1.811 . . . . 0.0 115.77 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -74.45 92.66 2.36 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.832 1.253 . . . . 0.0 111.45 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -138.92 159.68 41.56 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.361 1.864 . . . . 0.0 111.448 -172.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.4 t -83.38 59.92 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.809 1.244 . . . . 0.0 110.795 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.9 mt 57.24 9.58 0.73 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.733 2.413 . . . . 0.0 116.315 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -151.56 145.17 24.95 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.198 1.799 . . . . 0.0 110.973 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.88 32.23 0.07 OUTLIER Glycine 0 CA--C 1.534 1.246 0 N-CA-C 115.414 0.925 . . . . 0.0 115.414 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.9 t -61.48 -27.92 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -170.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.7 mtm-85 -75.79 -10.64 59.6 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.902 1.281 . . . . 0.0 114.416 177.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt 62.73 127.9 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.537 2.735 . . . . 0.0 114.123 -172.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.9 144.47 21.1 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.49 1.043 . . . . 0.0 113.732 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 56.04 -171.79 0.07 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.311 1.845 . . . . 0.0 114.797 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -131.6 155.98 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 126.357 1.863 . . . . 0.0 111.81 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -117.39 15.23 14.77 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.443 1.497 . . . . 0.0 112.837 -177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -155.94 159.28 39.11 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.57 1.948 . . . . 0.0 111.427 -166.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.64 109.78 0.99 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.7 1.2 . . . . 0.0 112.07 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -131.04 119.65 22.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.123 1.369 . . . . 0.0 110.712 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.74 143.26 57.98 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -91.59 6.46 45.62 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.715 3.606 . . . . 0.0 114.097 4.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -75.16 172.95 11.48 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 124.93 1.292 . . . . 0.0 111.622 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.0 m80 60.74 -177.53 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.18 2.192 . . . . 0.0 114.243 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.96 146.26 44.04 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.234 -0.917 . . . . 0.0 110.752 164.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -138.43 138.34 38.09 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.185 1.394 . . . . 0.0 110.949 -174.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.6 162.83 30.41 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.368 1.467 . . . . 0.0 112.055 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.91 146.84 88.73 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.522 2.814 . . . . 0.0 110.648 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -141.09 166.9 23.51 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -169.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.05 116.61 14.81 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 128.523 2.729 . . . . 0.0 108.71 -177.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 14.9 mm -90.04 110.0 21.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 121.18 -0.95 . . . . 0.0 108.523 177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.85 161.57 13.8 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.52 0.728 . . . . 0.0 110.093 165.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -123.46 151.69 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.661 1.184 . . . . 0.0 110.125 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -138.7 137.76 37.11 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 123.615 0.766 . . . . 0.0 112.273 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -104.13 123.12 46.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.692 1.597 . . . . 0.0 111.395 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 p -77.5 178.38 7.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.38 1.472 . . . . 0.0 111.898 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.77 -16.21 61.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -91.17 3.11 55.64 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.146 0.884 . . . . 0.0 112.815 171.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.81 6.93 88.61 Favored Glycine 0 N--CA 1.469 0.866 0 C-N-CA 125.074 1.321 . . . . 0.0 114.778 -169.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.79 120.01 19.76 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.58 1.19 . . . . 0.0 108.643 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -102.44 131.72 48.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.71 -0.619 . . . . 0.0 112.132 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -127.93 162.46 26.69 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.88 1.672 . . . . 0.0 111.471 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -109.89 137.94 46.97 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.367 1.467 . . . . 0.0 110.904 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.98 109.03 18.25 Favored Pre-proline 0 N--CA 1.472 0.664 0 C-N-CA 124.817 1.247 . . . . 0.0 110.141 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -71.08 130.0 17.06 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.081 3.188 . . . . 0.0 111.38 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -114.5 145.23 42.16 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.456 1.902 . . . . 0.0 110.969 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 155.58 20.52 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 111.28 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.57 -19.87 58.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.424 1.09 . . . . 0.0 113.771 -175.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -82.18 -10.64 59.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.28 174.99 5.63 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.838 2.055 . . . . 0.0 112.179 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.21 160.08 38.29 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.355 1.462 . . . . 0.0 110.704 170.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.3 mm -84.69 110.06 24.73 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 127.643 2.377 . . . . 0.0 110.269 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.31 151.77 60.49 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.367 2.711 . . . . 0.0 110.778 167.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.88 14.95 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.509 1.528 . . . . 0.0 115.071 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.2 p -139.97 158.71 43.63 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.029 0.915 . . . . 0.0 112.926 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -156.61 148.15 22.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.472 1.509 . . . . 0.0 111.866 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.45 126.94 31.28 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 111.511 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.7 m -90.53 165.4 13.8 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.552 1.141 . . . . 0.0 112.777 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.3 mtm-85 -68.78 -13.61 62.51 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -69.7 -17.15 63.45 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.133 1.373 . . . . 0.0 113.157 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.97 13.09 61.16 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.895 1.236 . . . . 0.0 113.657 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.9 tpp -112.69 147.74 36.15 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.372 1.469 . . . . 0.0 111.501 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.54 110.04 2.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.255 1.022 . . . . 0.0 110.353 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.1 148.85 19.98 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 124.582 1.087 . . . . 0.0 113.206 176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.1 m -109.57 137.71 47.01 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.898 0.879 . . . . 0.0 112.04 175.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 tp -56.72 124.22 17.65 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.843 1.657 . . . . 0.0 115.358 -172.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.51 156.1 40.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 127.798 2.439 . . . . 0.0 109.785 165.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.05 112.59 1.74 Allowed 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.829 -1.169 . . . . 0.0 112.716 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.8 -70.13 1.23 Allowed Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.484 1.04 . . . . 0.0 111.699 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -140.05 19.94 2.45 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.301 1.441 . . . . 0.0 112.294 175.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.21 103.98 18.15 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.013 1.725 . . . . 0.0 110.148 -172.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -86.92 -40.66 0.06 OUTLIER 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.936 2.424 . . . . 0.0 112.582 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -141.81 60.79 11.79 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 125.408 1.483 . . . . 0.0 114.043 -177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -56.88 129.42 34.48 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.183 1.922 . . . . 0.0 111.445 168.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -151.61 11.76 0.6 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.83 148.61 38.72 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -167.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -68.45 156.48 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.445 1.098 . . . . 0.0 112.039 172.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.78 131.84 95.27 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.07 0.948 . . . . 0.0 111.266 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -71.85 159.25 51.06 Favored 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 123.211 2.607 . . . . 0.0 112.605 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.82 -7.56 15.55 Favored 'Trans proline' 0 CA--C 1.545 1.069 0 C-N-CA 123.845 3.03 . . . . 0.0 114.679 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 125.876 1.671 . . . . 0.0 114.189 -177.648 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 119.408 -0.329 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.4 mtt -133.76 149.69 51.46 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.586 1.554 . . . . 0.0 111.306 173.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.92 -41.7 35.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.789 2.036 . . . . 0.0 112.743 -3.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 49.06 27.6 1.77 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.785 1.634 . . . . 0.0 115.043 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 58.4 20.36 7.31 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.944 2.098 . . . . 0.0 115.335 -174.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 m -129.98 164.56 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 126.552 1.941 . . . . 0.0 112.694 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 55.1 mt 60.79 176.68 0.1 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.863 2.065 . . . . 0.0 114.556 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 51.27 42.48 29.01 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.304 1.842 . . . . 0.0 114.122 174.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.38 170.95 37.64 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.758 1.171 . . . . 0.0 114.287 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -78.04 49.13 0.77 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.91 1.684 . . . . 0.0 114.115 -172.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -65.89 -27.93 68.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.572 1.549 . . . . 0.0 113.092 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 tp -138.44 141.62 39.52 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.357 1.863 . . . . 0.0 110.153 174.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.58 149.62 45.39 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 123.933 0.778 . . . . 0.0 113.994 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.13 41.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.379 1.472 . . . . 0.0 111.461 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 t -83.57 59.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.912 1.285 . . . . 0.0 110.57 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 t -90.44 -44.59 9.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.841 1.256 . . . . 0.0 112.647 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.256 39.9 p90 50.08 174.91 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 129.364 3.065 . . . . 0.0 116.884 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.8 104.51 14.82 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.751 -1.218 . . . . 0.0 110.738 178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -66.55 128.47 36.32 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.812 0.845 . . . . 0.0 110.036 170.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -74.38 112.38 10.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.201 0.6 . . . . 0.0 111.252 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -76.48 -6.49 52.01 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.037 1.335 . . . . 0.0 114.384 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -125.68 29.16 6.03 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.877 2.071 . . . . 0.0 111.733 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -72.8 -43.84 62.25 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.39 162.38 27.91 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.039 1.335 . . . . 0.0 113.163 177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.3 mt -81.45 69.87 8.19 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.618 1.199 . . . . 0.0 112.315 -174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.73 77.85 9.28 Favored Pre-proline 0 CA--C 1.549 0.924 0 C-N-CA 127.299 2.239 . . . . 0.0 108.716 166.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -57.98 120.99 9.24 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.636 3.557 . . . . 0.0 113.432 -168.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 ptt-85 -141.11 168.52 19.59 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.78 110.46 11.76 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 129.16 2.984 . . . . 0.0 108.144 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.12 106.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.93 160.97 14.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.073 0.949 . . . . 0.0 111.139 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -115.43 150.34 36.58 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.333 1.453 . . . . 0.0 111.016 174.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -141.86 143.72 33.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.433 1.093 . . . . 0.0 111.678 175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -110.07 124.98 52.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.54 1.936 . . . . 0.0 111.45 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 69.7 p -79.63 178.4 8.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.197 1.399 . . . . 0.0 111.826 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.3 -16.1 61.9 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.28 2.54 56.3 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 119.146 0.885 . . . . 0.0 112.769 171.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.64 9.99 85.74 Favored Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.961 1.267 . . . . 0.0 114.59 -168.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -75.72 119.99 20.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.178 1.489 . . . . 0.0 108.752 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -102.48 130.27 49.24 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.773 0.829 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.99 164.1 23.93 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.564 1.546 . . . . 0.0 112.254 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.99 138.79 45.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.224 1.009 . . . . 0.0 111.786 175.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.3 t -126.01 110.0 24.59 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 125.794 1.637 . . . . 0.0 110.425 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -69.09 130.02 19.4 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.346 3.364 . . . . 0.0 112.233 169.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.62 142.2 47.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.321 1.848 . . . . 0.0 111.353 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.38 158.96 21.94 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.104 -0.998 . . . . 0.0 111.403 178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.72 -19.98 60.12 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.209 1.004 . . . . 0.0 113.573 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.74 -12.68 60.79 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.003 1.321 . . . . 0.0 113.397 171.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.05 174.36 6.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.263 2.225 . . . . 0.0 112.735 -177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.49 165.14 25.58 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.202 1.801 . . . . 0.0 111.22 171.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.5 mm -87.2 109.96 29.58 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 126.968 2.107 . . . . 0.0 109.732 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.03 153.97 71.41 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.618 2.878 . . . . 0.0 110.881 168.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.9 15.81 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 124.619 1.104 . . . . 0.0 115.02 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.6 p -142.47 159.89 41.36 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.207 1.004 . . . . 0.0 112.78 173.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -156.97 148.06 21.92 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.203 1.401 . . . . 0.0 112.262 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.15 123.99 22.59 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.952 -1.093 . . . . 0.0 111.538 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 77.9 m -92.26 166.46 12.6 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.669 1.188 . . . . 0.0 112.838 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -67.3 -15.67 63.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.366 1.067 . . . . 0.0 113.818 -174.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.17 -17.12 63.77 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.076 1.35 . . . . 0.0 113.336 170.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 12.97 61.25 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.783 1.183 . . . . 0.0 113.617 -173.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -114.66 148.41 38.22 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.779 1.632 . . . . 0.0 111.24 178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.25 109.96 3.31 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.894 0.878 . . . . 0.0 110.465 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.74 147.87 21.45 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.327 0.965 . . . . 0.0 112.605 175.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.8 m -106.71 137.82 44.04 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.985 0.914 . . . . 0.0 111.574 173.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.11 122.72 15.1 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.414 1.486 . . . . 0.0 110.791 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.513 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -124.41 151.23 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.548 1.539 . . . . 0.0 111.963 176.017 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -87.92 128.5 35.37 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.11 0.964 . . . . 0.0 111.858 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.51 62.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.616 0 C-N-CA 125.292 1.425 . . . . 0.0 110.095 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -138.18 151.31 47.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.852 2.061 . . . . 0.0 109.027 -162.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.01 133.85 39.5 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 125.988 1.715 . . . . 0.0 111.172 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -81.4 8.28 38.16 Favored 'Cis proline' 0 CA--C 1.547 1.17 0 N-CA-C 117.135 1.936 . . . . 0.0 117.135 9.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -130.44 60.68 54.21 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -81.27 59.83 7.53 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 123.539 2.826 . . . . 0.0 111.227 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -139.78 4.89 2.14 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.849 1.66 . . . . 0.0 115.21 -166.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -84.56 39.92 0.76 Allowed 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.367 1.467 . . . . 0.0 114.038 -161.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.8 t -143.28 120.76 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.128 2.171 . . . . 0.0 108.327 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -138.78 87.83 14.36 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 125.348 1.459 . . . . 0.0 110.143 -177.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -51.66 136.35 49.77 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 123.768 2.979 . . . . 0.0 113.59 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -76.09 1.43 19.81 Favored 'Cis proline' 0 CA--C 1.545 1.036 0 N-CA-C 117.435 2.052 . . . . 0.0 117.435 9.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.677 1.591 . . . . 0.0 111.055 171.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 p . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.893 0.378 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -72.65 151.62 42.17 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.332 1.053 . . . . 0.0 112.261 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.2 152.62 44.04 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.846 0.858 . . . . 0.0 112.532 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -75.64 93.01 3.0 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.571 1.148 . . . . 0.0 111.556 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -141.09 166.29 25.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.317 1.847 . . . . 0.0 112.012 -173.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.99 142.61 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.212 1.405 . . . . 0.0 110.536 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -90.2 -15.2 31.91 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -170.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -150.74 154.92 38.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.937 1.695 . . . . 0.0 111.075 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.83 -154.7 50.22 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 123.663 0.649 . . . . 0.0 112.362 -169.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.2 t -146.78 144.23 29.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.131 0.972 . . . . 0.0 111.697 176.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -73.7 -15.77 61.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.427 1.091 . . . . 0.0 113.885 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -87.41 5.79 37.0 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.758 1.223 . . . . 0.0 113.62 166.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.27 136.85 9.21 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 126.357 1.932 . . . . 0.0 113.62 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.23 150.58 32.83 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.928 1.691 . . . . 0.0 110.283 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.6 m -116.43 134.15 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.494 1.118 . . . . 0.0 112.095 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 77.6 p -66.38 171.24 5.06 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.104 2.562 . . . . 0.0 112.693 -10.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.76 132.58 54.02 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -152.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -131.7 1.52 4.03 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.415 1.886 . . . . 0.0 112.523 169.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.2 p -125.58 21.12 7.82 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.24 2.216 . . . . 0.0 113.469 -171.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -71.06 151.98 43.98 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.254 1.022 . . . . 0.0 112.65 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 143.12 53.83 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.032 1.333 . . . . 0.0 112.21 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -66.48 -41.85 88.36 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -170.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -147.77 145.29 28.74 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.579 1.551 . . . . 0.0 110.796 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -78.57 156.54 29.12 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -139.62 134.28 31.86 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.287 1.835 . . . . 0.0 109.132 177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 51.85 73.94 0.88 Allowed Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 125.893 1.677 . . . . 0.0 113.689 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -64.54 172.45 6.71 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.996 3.131 . . . . 0.0 114.174 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -139.92 166.65 24.06 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.042 1.337 . . . . 0.0 114.558 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.44 117.07 16.77 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 128.531 2.732 . . . . 0.0 109.026 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.9 mm -92.72 106.8 18.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 124.514 1.126 . . . . 0.0 109.062 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.0 160.16 14.5 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.804 0.841 . . . . 0.0 110.97 168.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -112.08 151.91 28.84 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.682 1.193 . . . . 0.0 110.614 169.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -140.88 141.75 34.58 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.255 1.022 . . . . 0.0 111.332 174.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -108.56 124.67 50.82 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.637 1.975 . . . . 0.0 111.019 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 60.3 p -79.65 178.39 8.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.989 1.316 . . . . 0.0 111.41 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.66 -16.37 61.7 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -89.36 1.85 55.22 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 119.157 0.89 . . . . 0.0 112.669 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.18 7.79 88.04 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 125.14 1.352 . . . . 0.0 114.779 -168.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.61 120.03 18.65 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.668 1.234 . . . . 0.0 108.536 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -102.5 132.5 48.51 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.533 0.682 . . . . 0.0 112.05 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -126.85 163.36 23.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.712 1.605 . . . . 0.0 111.464 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -109.99 133.9 52.69 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.843 1.257 . . . . 0.0 110.002 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.07 110.09 38.44 Favored Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 124.756 1.222 . . . . 0.0 109.955 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.19 129.95 14.68 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.358 2.705 . . . . 0.0 111.278 171.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -119.56 140.81 49.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.771 1.628 . . . . 0.0 111.402 174.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.54 159.41 24.13 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.316 -0.865 . . . . 0.0 111.376 176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.89 -19.95 54.46 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.925 1.29 . . . . 0.0 113.67 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.98 -13.48 61.63 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.918 1.287 . . . . 0.0 113.478 171.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.71 160.91 22.35 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.675 1.99 . . . . 0.0 112.557 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -131.5 141.69 49.8 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.044 1.338 . . . . 0.0 111.116 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.3 mm -57.8 110.14 2.3 Favored Pre-proline 0 N--CA 1.472 0.625 0 C-N-CA 127.934 2.494 . . . . 0.0 111.407 -172.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.86 149.9 54.57 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.288 2.659 . . . . 0.0 110.605 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.31 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.515 1.531 . . . . 0.0 115.307 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.07 159.72 41.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.159 0.979 . . . . 0.0 112.413 171.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -157.93 148.13 20.41 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.52 1.528 . . . . 0.0 111.872 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 125.94 28.22 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.969 -1.082 . . . . 0.0 111.951 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.0 m -92.02 162.97 14.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.66 1.184 . . . . 0.0 112.687 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -67.43 -14.58 63.06 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.41 -17.1 64.58 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.106 0.962 . . . . 0.0 112.83 169.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.7 12.89 60.23 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.304 1.43 . . . . 0.0 113.689 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -113.73 147.99 37.26 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.977 1.311 . . . . 0.0 111.321 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.04 109.96 2.76 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.715 0.806 . . . . 0.0 110.313 173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.65 149.14 23.22 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.47 1.033 . . . . 0.0 112.477 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 75.1 m -107.05 138.62 42.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.961 0.904 . . . . 0.0 111.318 173.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.07 121.73 12.6 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.585 1.554 . . . . 0.0 110.669 -176.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.503 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.06 154.24 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.472 1.509 . . . . 0.0 112.225 176.666 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.25 148.2 45.71 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.121 0.568 . . . . 0.0 110.853 166.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.49 -13.93 63.79 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 116.553 1.381 . . . . 0.0 116.553 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.0 t70 63.44 133.17 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.64 2.776 . . . . 0.0 116.271 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -130.03 148.59 70.29 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 125.983 1.713 . . . . 0.0 110.83 173.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -79.89 40.61 0.98 Allowed 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 124.609 3.539 . . . . 0.0 112.616 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 37.48 59.92 4.2 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.785 2.434 . . . . 0.0 112.788 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -34.37 104.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.558 4.172 . . . . 0.0 117.082 -152.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -153.0 173.58 15.24 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 128.732 2.813 . . . . 0.0 111.045 -168.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -60.18 132.97 55.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.726 0.811 . . . . 0.0 110.329 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.58 129.09 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.723 0.809 . . . . 0.0 112.005 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.1 ttmt -143.75 100.87 5.04 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 126.204 1.802 . . . . 0.0 108.938 171.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -64.37 153.09 78.74 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 123.014 2.476 . . . . 0.0 114.021 -174.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.25 158.19 98.92 Favored 'Cis proline' 0 CA--C 1.543 0.968 0 CA-C-N 119.119 0.721 . . . . 0.0 112.862 -5.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 124.567 1.147 . . . . 0.0 113.586 179.789 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -139.56 24.39 2.45 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.757 1.223 . . . . 0.0 113.976 -178.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.93 20.49 0.25 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.974 1.309 . . . . 0.0 114.385 -176.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.33 150.69 25.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.841 1.657 . . . . 0.0 112.856 -177.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.65 32.4 6.15 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.075 1.35 . . . . 0.0 113.991 -169.098 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t 57.64 52.04 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 126.082 1.753 . . . . 0.0 110.225 -166.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.4 141.18 28.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.479 1.112 . . . . 0.0 111.852 -175.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -67.06 137.91 56.77 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.466 2.706 . . . . 0.0 111.167 -6.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.99 145.22 49.23 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 123.766 0.698 . . . . 0.0 114.124 -171.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.7 m -56.79 138.74 52.76 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.082 1.753 . . . . 0.0 112.839 -177.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -155.61 164.93 37.99 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.891 1.276 . . . . 0.0 113.817 -173.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.9 mt 61.43 152.86 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 129.262 3.025 . . . . 0.0 115.897 -178.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -165.06 27.55 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.672 1.606 . . . . 0.0 113.861 177.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 54.12 31.42 13.84 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.096 1.758 . . . . 0.0 115.516 175.003 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.52 139.02 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.496 1.119 . . . . 0.0 111.586 178.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -80.46 -6.27 57.86 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -165.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -144.36 12.61 1.55 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.887 1.675 . . . . 0.0 113.937 -167.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.31 11.3 pt-20 51.78 31.81 8.68 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.855 2.462 . . . . 0.0 117.329 172.223 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.7 p -131.98 162.52 30.5 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.643 1.177 . . . . 0.0 112.026 168.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -101.27 142.08 33.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.466 1.107 . . . . 0.0 109.999 170.043 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 43.92 27.27 0.18 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 127.597 2.359 . . . . 0.0 116.005 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.9 t30 55.61 26.59 9.37 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.921 2.088 . . . . 0.0 114.744 -170.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -132.99 59.11 1.74 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.564 1.945 . . . . 0.0 111.379 -178.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 59.32 -169.86 0.13 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.057 1.343 . . . . 0.0 114.17 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.91 146.59 28.8 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.89 -1.131 . . . . 0.0 109.632 166.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 49.98 60.04 15.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.95 70.0 6.07 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 124.157 3.238 . . . . 0.0 112.143 -177.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.9 ptp85 -141.06 164.93 28.94 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.086 1.754 . . . . 0.0 113.902 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.54 102.67 5.59 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 127.752 2.421 . . . . 0.0 109.723 -171.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.55 109.56 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 123.973 0.909 . . . . 0.0 108.659 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.99 159.27 15.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.22 1.008 . . . . 0.0 110.878 163.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -110.35 150.91 28.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.551 1.14 . . . . 0.0 110.322 169.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.12 139.64 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 124.36 1.064 . . . . 0.0 110.933 174.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.93 124.02 49.02 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.92 1.688 . . . . 0.0 110.875 -177.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -76.98 177.63 7.6 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.892 1.277 . . . . 0.0 111.318 178.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.38 -16.03 61.35 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -88.66 1.64 54.69 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.183 0.901 . . . . 0.0 112.837 171.083 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.47 4.98 88.99 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.145 1.355 . . . . 0.0 114.68 -168.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.85 120.03 17.91 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.575 1.188 . . . . 0.0 108.728 -178.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -102.44 132.94 48.14 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.524 0.678 . . . . 0.0 111.915 -179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.88 160.46 31.75 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.523 1.529 . . . . 0.0 111.556 177.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -109.88 133.09 53.55 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.869 1.267 . . . . 0.0 110.918 -177.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.56 110.02 34.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 124.408 1.083 . . . . 0.0 109.88 178.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -79.41 118.46 3.93 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.374 2.716 . . . . 0.0 111.053 172.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -98.98 143.2 29.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.559 1.944 . . . . 0.0 111.438 174.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 157.11 26.92 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.375 -0.828 . . . . 0.0 110.972 174.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.04 -20.01 55.74 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.432 1.093 . . . . 0.0 113.67 179.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.87 -11.38 60.12 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.525 1.13 . . . . 0.0 113.311 173.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.41 161.97 18.7 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.738 2.015 . . . . 0.0 112.459 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -131.91 138.98 48.6 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.805 1.242 . . . . 0.0 111.357 174.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.7 mm -57.61 110.16 2.29 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 127.637 2.375 . . . . 0.0 111.877 -173.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.37 153.21 66.28 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.388 2.725 . . . . 0.0 111.193 168.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.01 -29.9 15.3 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.847 1.213 . . . . 0.0 115.238 176.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.3 p -142.72 160.11 40.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.337 1.068 . . . . 0.0 113.171 174.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -157.32 148.09 21.39 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.293 1.437 . . . . 0.0 112.246 -178.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 126.89 31.03 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.893 -1.129 . . . . 0.0 111.846 -179.55 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.0 m -92.75 162.89 13.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.532 1.133 . . . . 0.0 112.578 -179.279 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -67.35 -15.23 63.57 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 -177.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -67.26 -17.14 64.67 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.141 0.976 . . . . 0.0 112.765 169.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.85 60.71 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 125.553 1.549 . . . . 0.0 113.63 -175.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.7 tpt -112.18 147.64 35.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.007 1.323 . . . . 0.0 111.397 177.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.14 110.01 2.38 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.981 0.913 . . . . 0.0 110.965 172.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.4 147.84 20.94 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.475 1.036 . . . . 0.0 112.533 176.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.0 m -107.08 139.8 40.91 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.8 -0.823 . . . . 0.0 111.686 173.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.0 tp -58.29 122.33 12.95 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.634 -176.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -137.5 156.04 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 126.119 1.768 . . . . 0.0 112.154 177.199 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.79 132.59 35.15 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.254 0.622 . . . . 0.0 109.538 159.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.12 -50.8 8.12 Favored Glycine 0 CA--C 1.534 1.264 0 O-C-N 121.886 -0.509 . . . . 0.0 114.162 -171.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 50.02 31.65 5.02 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.4 1.88 . . . . 0.0 114.877 -178.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.4 mt -76.95 149.6 80.29 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.361 1.064 . . . . 0.0 112.458 -176.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -80.28 46.16 2.17 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 124.795 3.664 . . . . 0.0 112.475 179.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 40.46 59.98 7.39 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 127.71 2.404 . . . . 0.0 114.477 -174.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.17 162.04 43.88 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.826 3.018 . . . . 0.0 112.948 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -140.94 178.08 7.61 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 112.047 176.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -62.3 126.26 26.73 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.718 1.207 . . . . 0.0 111.121 169.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.18 30.01 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.719 2.007 . . . . 0.0 111.587 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -58.79 148.37 68.62 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -169.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -82.45 154.57 76.51 Favored 'Cis proline' 0 CA--C 1.549 1.257 0 O-C-N 122.177 0.567 . . . . 0.0 113.135 -3.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -98.36 -17.16 6.47 Favored 'Cis proline' 0 CA--C 1.547 1.14 0 CA-C-N 119.501 0.857 . . . . 0.0 114.143 -5.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.764 1.626 . . . . 0.0 113.617 -169.251 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptp -71.45 159.99 33.52 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.934 0.894 . . . . 0.0 112.994 176.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.23 151.36 46.38 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.928 0.891 . . . . 0.0 112.591 176.001 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.22 64.93 7.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.969 1.307 . . . . 0.0 111.893 -178.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -141.18 158.72 43.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.976 1.71 . . . . 0.0 112.679 -176.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.56 147.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.548 1.539 . . . . 0.0 110.571 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.3 mt -86.44 -34.8 20.01 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -177.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -126.9 170.68 11.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.591 1.956 . . . . 0.0 111.433 -172.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.8 22.89 78.27 Favored Glycine 0 CA--C 1.535 1.301 0 N-CA-C 115.198 0.839 . . . . 0.0 115.198 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -59.67 -29.24 67.92 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.803 1.302 . . . . 0.0 114.079 -174.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -86.26 55.91 3.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.807 1.643 . . . . 0.0 111.616 175.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp 54.24 36.39 24.96 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.807 2.043 . . . . 0.0 113.46 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.97 -148.12 18.85 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 126.168 1.842 . . . . 0.0 113.331 175.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 171.13 14.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.32 1.448 . . . . 0.0 112.797 -178.259 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.284 5.3 m 54.34 176.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 129.471 3.108 . . . . 0.0 116.827 176.328 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -150.12 131.57 14.74 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.416 1.486 . . . . 0.0 110.886 -177.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -159.06 154.36 25.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.055 1.342 . . . . 0.0 112.061 178.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.95 -9.02 58.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.346 1.459 . . . . 0.0 114.808 -172.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 m 57.88 48.8 12.96 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.808 2.043 . . . . 0.0 112.875 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.66 151.03 45.39 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.225 -0.922 . . . . 0.0 110.913 169.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -126.62 13.26 7.5 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.955 1.702 . . . . 0.0 113.815 -168.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -63.31 146.35 53.65 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.308 1.043 . . . . 0.0 112.87 179.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -143.51 32.84 1.3 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.685 1.594 . . . . 0.0 112.368 -168.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.28 139.86 58.08 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.307 1.043 . . . . 0.0 113.526 -162.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 25' ' ' LEU 0.261 1.6 pt? -101.66 69.98 1.24 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.721 1.608 . . . . 0.0 112.496 -177.627 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.65 145.54 34.57 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 125.316 1.446 . . . . 0.0 112.281 -178.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.48 110.38 3.09 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.725 2.95 . . . . 0.0 110.527 176.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -140.96 165.46 27.49 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.64 101.96 5.7 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 128.288 2.635 . . . . 0.0 109.458 -172.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 110.03 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 124.489 1.116 . . . . 0.0 108.946 176.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 159.11 15.09 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 111.386 162.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -110.17 150.47 28.59 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.73 1.212 . . . . 0.0 110.328 167.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -139.38 140.83 37.56 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.339 1.056 . . . . 0.0 111.189 175.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -108.23 126.99 53.44 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.574 1.55 . . . . 0.0 111.722 -177.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.2 p -78.3 176.56 9.18 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.746 1.218 . . . . 0.0 111.246 179.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -79.42 -11.7 59.91 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.347 -0.845 . . . . 0.0 112.477 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -96.25 11.42 34.59 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.308 1.843 . . . . 0.0 111.549 175.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.0 -1.16 89.11 Favored Glycine 0 N--CA 1.471 1.028 0 C-N-CA 126.552 2.025 . . . . 0.0 115.076 -178.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -84.79 120.16 26.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.779 0.832 . . . . 0.0 110.818 -165.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -102.42 128.32 49.06 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.452 0.701 . . . . 0.0 111.565 -175.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.09 162.44 26.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.814 1.645 . . . . 0.0 111.706 -179.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -109.86 136.91 48.41 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.6 1.16 . . . . 0.0 111.178 -177.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.3 t -124.12 108.16 30.06 Favored Pre-proline 0 N--CA 1.469 0.496 0 C-N-CA 124.262 1.025 . . . . 0.0 109.992 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.09 118.4 4.03 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.341 2.694 . . . . 0.0 111.008 171.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.91 139.97 34.8 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.237 1.415 . . . . 0.0 111.282 173.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.34 160.88 22.75 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.89 0.876 . . . . 0.0 111.488 176.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.28 -21.35 48.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.093 1.357 . . . . 0.0 114.064 -176.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.42 -11.2 59.92 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 174.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.04 157.79 26.16 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.863 2.065 . . . . 0.0 112.553 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -136.17 145.6 45.95 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 112.154 174.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.1 mm -57.95 110.1 2.28 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 128.263 2.625 . . . . 0.0 112.306 -168.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.83 150.61 44.56 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.306 2.671 . . . . 0.0 110.946 166.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.98 -29.89 15.08 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.826 1.679 . . . . 0.0 115.248 178.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.6 p -140.02 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.099 0.95 . . . . 0.0 112.801 172.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -157.46 148.04 21.12 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.158 1.383 . . . . 0.0 112.249 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 126.33 29.38 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.822 -1.174 . . . . 0.0 112.003 -179.502 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -93.99 164.22 13.17 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.938 1.295 . . . . 0.0 112.824 -178.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -68.43 -14.67 63.17 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -176.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -68.63 -17.07 64.04 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 121.638 0.733 . . . . 0.0 112.62 168.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.51 13.5 56.94 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.559 1.552 . . . . 0.0 113.779 -177.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.3 tpt -111.36 149.01 31.77 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.799 1.64 . . . . 0.0 111.285 176.036 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.12 109.89 2.77 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.528 0.731 . . . . 0.0 110.053 171.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -84.55 148.56 23.94 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.69 1.138 . . . . 0.0 112.25 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.1 m -106.26 140.2 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.724 -0.868 . . . . 0.0 111.369 172.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp -58.89 122.94 14.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.426 1.49 . . . . 0.0 112.725 -178.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.464 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -130.78 154.25 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.708 1.603 . . . . 0.0 112.248 177.771 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.47 125.24 31.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.899 0.88 . . . . 0.0 110.717 172.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.73 34.28 0.02 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.703 0.668 . . . . 0.0 114.247 -177.566 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -143.29 -159.9 1.04 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.298 1.839 . . . . 0.0 109.903 -174.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.76 153.24 16.74 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 125.548 1.539 . . . . 0.0 111.682 171.308 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.89 76.58 2.89 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.15 3.234 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 41.66 74.72 0.7 Allowed Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 128.821 2.848 . . . . 0.0 114.316 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -46.51 130.75 15.0 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.267 2.645 . . . . 0.0 114.093 171.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 48.23 48.13 18.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.293 2.237 . . . . 0.0 114.514 -172.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -67.85 123.2 19.89 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.976 0.91 . . . . 0.0 109.817 164.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.6 t 60.59 131.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 126.365 1.866 . . . . 0.0 112.495 -159.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -84.44 -59.81 0.33 Allowed Pre-proline 0 N--CA 1.474 0.741 0 CA-C-O 117.056 -1.45 . . . . 0.0 114.238 -175.818 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -61.42 157.54 40.51 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 C-N-CA 122.588 2.192 . . . . 0.0 112.322 172.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -64.81 136.78 50.66 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.327 2.685 . . . . 0.0 113.0 -174.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.284 0 C-N-CA 127.452 2.301 . . . . 0.0 111.489 -178.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.637 0.256 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.15 -17.35 63.4 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 120.725 -1.235 . . . . 0.0 113.458 176.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.63 -14.66 62.56 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 173.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -85.14 -3.33 58.77 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.502 1.121 . . . . 0.0 113.599 176.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -68.16 151.96 46.21 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.887 1.275 . . . . 0.0 112.402 178.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.2 m -80.04 148.26 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 125.193 1.397 . . . . 0.0 111.668 177.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -90.93 -10.25 43.14 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.088 1.355 . . . . 0.0 113.892 -176.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -137.53 154.21 49.87 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.263 1.825 . . . . 0.0 110.688 174.205 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.19 -31.57 0.54 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.171 1.367 . . . . 0.0 113.169 179.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 p -76.55 168.14 20.6 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.424 1.49 . . . . 0.0 112.194 165.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.5 tpp180 -60.9 135.5 57.8 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.299 1.04 . . . . 0.0 111.601 179.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -139.97 170.71 15.36 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.125 1.77 . . . . 0.0 111.961 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.37 109.95 3.17 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 123.975 0.797 . . . . 0.0 112.734 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.42 157.77 42.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.888 1.675 . . . . 0.0 111.477 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -132.97 26.49 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 124.681 1.192 . . . . 0.0 112.091 -178.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.4 m 53.94 49.01 19.92 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 168.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -109.95 -40.07 4.87 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.006 1.322 . . . . 0.0 113.516 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -163.83 -38.86 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.969 2.108 . . . . 0.0 111.642 170.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.2 m 55.09 87.97 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 128.248 2.619 . . . . 0.0 113.395 171.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -150.28 155.2 39.24 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 130.366 3.467 . . . . 0.0 111.566 1.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -151.62 164.9 35.88 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.891 1.276 . . . . 0.0 113.769 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -83.96 162.16 20.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.08 1.352 . . . . 0.0 112.258 174.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.9 t60 54.13 39.09 30.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 126.631 1.972 . . . . 0.0 114.02 179.074 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.61 -169.91 3.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.401 1.881 . . . . 0.0 110.583 -175.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.63 139.93 36.96 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.316 0.646 . . . . 0.0 110.215 162.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.32 168.25 11.45 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.66 1.184 . . . . 0.0 112.007 -161.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -57.01 138.5 86.6 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.746 2.964 . . . . 0.0 111.867 169.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -141.04 167.75 21.44 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.413 -172.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.98 114.02 14.1 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 127.993 2.517 . . . . 0.0 108.969 178.736 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.12 101.82 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 123.88 0.872 . . . . 0.0 108.948 173.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.33 145.08 29.99 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.765 0.826 . . . . 0.0 111.634 176.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -101.03 151.14 22.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.193 0.997 . . . . 0.0 112.354 -179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.33 142.82 31.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.11 0.964 . . . . 0.0 111.566 176.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -109.39 126.28 53.27 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.115 1.766 . . . . 0.0 111.523 -179.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.8 p -77.15 176.22 8.92 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.919 1.288 . . . . 0.0 111.28 178.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.94 -11.62 60.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.374 -0.829 . . . . 0.0 112.468 -178.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -96.2 11.44 34.42 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.126 1.77 . . . . 0.0 111.535 175.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.91 1.39 90.25 Favored Glycine 0 N--CA 1.473 1.128 0 C-N-CA 126.345 1.926 . . . . 0.0 114.941 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.53 120.07 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.732 0.766 . . . . 0.0 110.188 -167.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -102.52 127.87 49.4 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.545 0.738 . . . . 0.0 111.391 -175.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -125.94 163.39 23.09 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.63 1.572 . . . . 0.0 111.73 -179.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -111.19 131.94 54.72 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.221 1.408 . . . . 0.0 110.068 177.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.0 t -115.36 110.14 45.52 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.965 1.706 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -71.89 129.37 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.185 2.59 . . . . 0.0 111.514 172.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -120.01 142.76 48.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.077 1.751 . . . . 0.0 111.028 174.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -85.05 159.19 20.26 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.035 -1.04 . . . . 0.0 111.466 176.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -60.91 -19.96 61.33 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 177.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.58 -13.92 61.1 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.838 1.255 . . . . 0.0 113.426 171.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.86 175.73 5.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.101 2.161 . . . . 0.0 112.619 -178.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -133.75 167.15 21.05 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.003 1.721 . . . . 0.0 111.504 173.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 mm -91.7 109.38 36.31 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 126.501 1.92 . . . . 0.0 109.493 -179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.86 152.04 57.56 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.367 2.711 . . . . 0.0 110.749 168.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.0 -29.85 15.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.648 1.594 . . . . 0.0 115.102 179.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.6 p -140.0 159.35 42.37 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.226 1.013 . . . . 0.0 112.516 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -157.76 148.02 20.6 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.26 1.424 . . . . 0.0 112.298 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 124.95 25.23 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.826 -1.171 . . . . 0.0 111.822 -179.052 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.4 m -94.75 165.09 12.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.043 1.337 . . . . 0.0 113.018 -177.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -68.65 -13.86 62.64 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -69.12 -17.13 63.81 Favored 'General case' 0 CA--C 1.556 1.191 0 CA-C-N 118.855 0.752 . . . . 0.0 112.539 168.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 16.48 49.85 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.484 1.516 . . . . 0.0 113.879 -176.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.1 tpt -115.89 149.85 38.01 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.669 1.587 . . . . 0.0 111.514 176.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.79 110.03 2.68 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.684 0.794 . . . . 0.0 110.173 171.769 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.69 148.6 22.81 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.512 1.053 . . . . 0.0 112.212 175.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 m -106.41 137.93 43.5 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.744 -0.857 . . . . 0.0 111.691 173.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.08 120.67 10.15 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.752 1.621 . . . . 0.0 111.917 -172.313 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.83 155.95 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 126.505 1.922 . . . . 0.0 110.269 172.736 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -140.12 147.36 40.1 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.142 -0.974 . . . . 0.0 112.096 167.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.79 -6.95 68.53 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.702 1.144 . . . . 0.0 115.422 177.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.14 157.47 43.41 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.763 2.425 . . . . 0.0 107.75 172.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.73 129.21 91.31 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 124.61 1.164 . . . . 0.0 111.791 -172.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -82.2 56.23 5.71 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.373 3.382 . . . . 0.0 111.845 -176.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 41.16 59.99 8.26 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.43 2.292 . . . . 0.0 114.206 -174.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -78.83 59.9 7.49 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.686 3.591 . . . . 0.0 112.956 -172.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -130.21 -15.63 3.68 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.419 2.288 . . . . 0.0 113.662 -176.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.74 135.24 57.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 112.187 -169.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.59 153.76 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.324 1.05 . . . . 0.0 112.664 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -145.05 136.38 12.6 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 125.929 1.691 . . . . 0.0 110.123 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -60.22 148.75 88.7 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 122.806 2.338 . . . . 0.0 112.443 -179.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -82.98 -0.86 54.22 Favored 'Cis proline' 0 CA--C 1.547 1.132 0 N-CA-C 115.382 1.262 . . . . 0.0 115.382 9.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 . . . . . 0 C--O 1.252 1.227 0 C-N-CA 124.681 1.192 . . . . 0.0 112.906 -179.798 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.484 1.249 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 96.7 mtp -85.7 -13.91 47.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -174.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.35 151.45 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.14 2.176 . . . . 0.0 114.212 -163.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.9 t0 58.0 171.3 0.05 Allowed 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.823 1.649 . . . . 0.0 113.269 -163.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 130.92 41.74 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.205 -1.56 . . . . 0.0 110.922 173.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 t -146.28 147.32 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.139 1.776 . . . . 0.0 108.786 179.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 7' ' ' LEU . 2.6 pt? -78.64 4.42 13.64 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 177.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -135.97 174.02 11.07 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.627 2.771 . . . . 0.0 110.039 -179.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 62.28 -89.77 0.06 OUTLIER Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.076 1.322 . . . . 0.0 113.742 171.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -57.99 -30.52 66.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.279 1.032 . . . . 0.0 112.511 170.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -96.79 120.17 36.62 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.783 1.233 . . . . 0.0 109.512 162.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.35 143.51 42.82 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.65 0.78 . . . . 0.0 111.3 -178.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.92 170.51 33.63 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.463 1.03 . . . . 0.0 113.838 178.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.6 36.21 2.23 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.792 1.637 . . . . 0.0 111.795 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.46 150.99 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.117 1.367 . . . . 0.0 114.064 -170.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 17' ' ' TYR . 66.3 m -138.53 117.41 12.39 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.091 1.756 . . . . 0.0 110.0 179.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 16' ' ' SER 0.253 95.2 m-85 63.3 142.04 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.946 1 C-N-CA 133.74 4.816 . . . . 0.0 118.136 10.378 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -124.53 110.12 14.07 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 113.704 -1.589 . . . . 0.0 107.742 139.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.2 m -86.67 134.74 33.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.669 0.788 . . . . 0.0 111.492 -159.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -145.41 151.22 37.9 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.276 1.43 . . . . 0.0 110.638 174.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -140.36 139.85 35.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.607 1.163 . . . . 0.0 112.48 -177.17 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -137.86 167.55 21.51 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.544 1.938 . . . . 0.0 110.679 166.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 51.52 42.03 29.08 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.192 1.397 . . . . 0.0 113.699 -179.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.16 166.29 2.2 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.966 1.706 . . . . 0.0 115.019 -171.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.2 mt -71.29 99.0 1.85 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.677 1.191 . . . . 0.0 111.815 -172.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -145.91 152.05 47.02 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.629 1.971 . . . . 0.0 110.817 178.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.63 111.28 3.2 Favored 'Trans proline' 0 CA--C 1.537 0.642 0 C-N-CA 123.558 2.839 . . . . 0.0 112.051 -173.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.2 ptt-85 -141.01 166.56 24.44 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.093 1.757 . . . . 0.0 113.902 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.47 101.93 5.73 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 127.669 2.388 . . . . 0.0 109.144 -174.109 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.24 108.33 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 172.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 154.37 17.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.298 1.039 . . . . 0.0 110.282 164.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -104.29 153.35 21.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.87 0.868 . . . . 0.0 110.358 169.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -139.32 138.16 36.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.581 1.153 . . . . 0.0 111.142 172.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 63.6 ttp85 -104.25 125.72 50.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.0 1.72 . . . . 0.0 110.32 -178.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.2 p -79.68 177.97 8.5 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.734 1.214 . . . . 0.0 111.761 178.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.46 -16.45 61.81 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -178.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.04 1.79 55.93 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.2 0.909 . . . . 0.0 112.871 171.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.76 6.09 88.8 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.931 1.253 . . . . 0.0 114.625 -168.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.26 120.0 18.27 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.541 1.171 . . . . 0.0 108.567 -179.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.34 132.58 48.23 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.496 0.665 . . . . 0.0 111.6 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -125.43 159.97 30.59 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 125.625 1.57 . . . . 0.0 111.27 177.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.17 127.59 55.64 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.435 1.094 . . . . 0.0 110.414 -175.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -117.37 109.45 42.14 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 124.728 1.211 . . . . 0.0 109.432 -177.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -78.73 118.39 4.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.604 2.203 . . . . 0.0 110.923 172.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -98.05 143.38 28.66 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.827 1.651 . . . . 0.0 110.635 172.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.89 154.62 28.22 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.317 -0.865 . . . . 0.0 109.912 173.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -19.81 58.21 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.92 -15.14 62.09 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.256 1.022 . . . . 0.0 112.926 172.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.73 171.16 7.63 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.837 2.055 . . . . 0.0 112.17 176.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.12 148.63 43.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.745 1.618 . . . . 0.0 111.362 173.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.3 mm -66.39 110.1 4.31 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 128.351 2.66 . . . . 0.0 111.652 -173.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -71.75 150.33 55.95 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.389 2.726 . . . . 0.0 110.914 167.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.93 -29.95 14.86 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 125.697 1.618 . . . . 0.0 115.485 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.5 p -140.0 159.74 41.5 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.248 1.024 . . . . 0.0 112.506 171.065 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.82 148.06 23.58 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.326 1.45 . . . . 0.0 111.8 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 125.97 28.32 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.893 -1.13 . . . . 0.0 111.446 -179.411 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.2 m -92.55 161.94 14.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.448 1.099 . . . . 0.0 112.769 -179.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -70.32 -10.78 59.98 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -175.588 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.78 -17.11 63.98 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.191 0.996 . . . . 0.0 112.663 167.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 12.73 61.51 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.418 1.485 . . . . 0.0 113.684 -174.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.5 tpp -112.75 146.87 38.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.556 1.542 . . . . 0.0 111.306 178.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.02 110.14 3.79 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.134 0.974 . . . . 0.0 110.241 175.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.87 148.56 20.38 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.461 1.029 . . . . 0.0 113.091 178.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.3 m -110.36 138.11 47.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.851 0.86 . . . . 0.0 112.036 175.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.91 122.37 14.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.072 1.749 . . . . 0.0 111.896 -170.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -126.41 151.14 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 126.306 1.842 . . . . 0.0 110.422 167.783 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.01 120.82 24.71 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.303 -0.873 . . . . 0.0 110.959 178.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -77.48 49.96 3.11 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.233 1.397 . . . . 0.0 114.15 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 t0 52.71 37.06 22.68 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.931 1.692 . . . . 0.0 112.975 -170.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.6 126.6 90.72 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.364 1.465 . . . . 0.0 111.33 -173.022 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.57 -41.21 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.581 2.187 . . . . 0.0 113.325 -176.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -141.56 59.91 10.79 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 124.973 1.309 . . . . 0.0 114.342 -176.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -78.48 59.9 7.34 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.51 3.473 . . . . 0.0 112.141 177.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -129.35 142.4 50.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.145 2.178 . . . . 0.0 111.219 -176.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -144.41 151.81 39.78 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.821 2.049 . . . . 0.0 110.747 178.791 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -127.28 120.53 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.74 1.216 . . . . 0.0 112.374 -176.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -63.05 158.4 54.99 Favored Pre-proline 0 N--CA 1.485 1.307 1 C-N-CA 132.137 4.175 . . . . 0.0 111.986 -9.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -65.23 166.98 49.0 Favored 'Cis proline' 0 CA--C 1.547 1.164 0 CA-C-N 121.138 1.442 . . . . 0.0 115.217 4.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.13 161.78 86.53 Favored 'Cis proline' 0 CA--C 1.54 0.8 0 CA-C-N 120.499 1.214 . . . . 0.0 114.313 6.283 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.562 1.945 . . . . 0.0 111.519 -178.971 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -19.17 45.87 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 128.153 2.581 . . . . 0.0 113.576 -5.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.76 179.98 6.31 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.134 1.374 . . . . 0.0 111.652 168.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.78 -26.05 67.53 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 177.511 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.1 mtt-85 -71.79 152.01 43.04 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.419 1.488 . . . . 0.0 113.027 174.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.292 11.7 p 50.04 120.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 130.421 3.489 . . . . 0.0 116.285 175.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.4 mt -79.09 17.63 0.75 Allowed 'General case' 0 CA--C 1.55 0.973 0 O-C-N 120.349 -1.469 . . . . 0.0 114.183 -175.464 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -150.74 171.29 17.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.737 2.015 . . . . 0.0 110.737 -178.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.63 -14.16 69.46 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 115.311 0.884 . . . . 0.0 115.311 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.6 p -73.66 140.92 46.43 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.634 1.574 . . . . 0.0 115.004 -173.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.54 158.72 34.52 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.328 2.251 . . . . 0.0 110.03 162.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.6 tp -141.75 -31.5 0.56 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -172.296 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.18 12.97 81.56 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 123.79 0.709 . . . . 0.0 114.714 -172.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.85 170.86 15.32 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.954 1.701 . . . . 0.0 112.139 -178.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.1 m -71.72 170.8 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.506 1.522 . . . . 0.0 113.624 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t 60.35 70.54 0.62 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.485 1.914 . . . . 0.0 113.187 -175.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -151.61 -168.78 3.18 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.716 2.006 . . . . 0.0 111.02 -175.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.99 4.85 3.79 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 -178.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . 0.261 4.8 m 61.77 42.26 10.85 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.745 2.018 . . . . 0.0 114.289 166.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.88 100.82 4.92 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.952 -1.093 . . . . 0.0 108.712 156.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -77.47 111.84 13.61 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.084 -1.01 . . . . 0.0 111.378 -169.297 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -130.18 80.14 1.94 Allowed 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 130.361 3.465 . . . . 0.0 110.084 -1.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 59.97 170.23 0.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.722 2.409 . . . . 0.0 114.521 -170.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -110.29 160.6 16.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.693 1.597 . . . . 0.0 113.886 -177.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.21 138.8 49.53 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.419 1.488 . . . . 0.0 110.0 172.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.39 111.72 25.98 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.444 1.497 . . . . 0.0 110.442 176.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -64.5 99.5 0.31 Allowed 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.702 2.934 . . . . 0.0 113.401 -178.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -141.1 167.57 21.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.498 1.519 . . . . 0.0 114.139 178.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.12 110.29 9.49 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 127.955 2.502 . . . . 0.0 109.149 -179.535 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mm -87.89 107.45 17.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 173.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.96 166.1 11.77 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.929 0.892 . . . . 0.0 111.237 170.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -117.32 154.21 31.64 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.717 1.207 . . . . 0.0 110.76 169.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -141.79 141.67 33.19 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.863 1.265 . . . . 0.0 111.085 174.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -107.38 125.19 50.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.583 1.953 . . . . 0.0 110.666 -178.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -80.43 178.33 8.39 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.796 1.239 . . . . 0.0 111.82 -178.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -72.87 -16.55 61.58 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -90.58 2.16 56.08 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.173 0.897 . . . . 0.0 112.747 171.287 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.67 8.63 87.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.882 1.229 . . . . 0.0 114.614 -168.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.7 119.89 19.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.794 1.297 . . . . 0.0 108.265 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -102.54 132.78 48.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.219 0.608 . . . . 0.0 111.677 -178.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.0 163.15 27.09 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.236 1.414 . . . . 0.0 112.259 178.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.96 134.24 52.32 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.449 1.499 . . . . 0.0 110.892 -178.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.2 110.01 29.06 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 124.921 1.289 . . . . 0.0 110.736 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.14 130.08 18.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.354 3.369 . . . . 0.0 112.167 168.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -117.66 142.54 47.11 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.617 1.967 . . . . 0.0 111.251 171.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.5 157.12 24.96 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.239 -0.913 . . . . 0.0 110.799 174.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.24 -19.9 56.55 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.392 1.077 . . . . 0.0 113.836 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.92 -13.39 61.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.6 1.16 . . . . 0.0 113.215 172.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.61 162.12 18.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.03 2.132 . . . . 0.0 112.213 177.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -131.84 141.44 49.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.956 1.303 . . . . 0.0 111.064 172.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -57.34 110.09 2.22 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 127.789 2.436 . . . . 0.0 111.182 -173.238 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.46 149.83 56.83 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.269 2.646 . . . . 0.0 110.49 170.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.97 -29.97 15.17 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.503 1.525 . . . . 0.0 115.202 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 p -139.98 159.9 41.13 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.174 0.987 . . . . 0.0 112.257 170.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -157.16 148.03 21.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.626 1.57 . . . . 0.0 111.715 -178.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 125.03 25.31 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.958 -1.089 . . . . 0.0 111.635 179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.63 165.51 14.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.371 1.069 . . . . 0.0 112.535 -179.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -67.14 -16.56 64.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.284 1.034 . . . . 0.0 113.65 -175.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.03 -17.17 63.86 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 125.191 1.396 . . . . 0.0 113.388 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.94 11.6 63.21 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.839 1.209 . . . . 0.0 113.687 -173.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.4 tpp -111.15 147.1 35.64 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.741 1.616 . . . . 0.0 110.958 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -68.24 110.02 3.85 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.668 0.787 . . . . 0.0 110.33 175.099 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.06 149.14 21.92 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.543 1.068 . . . . 0.0 112.924 176.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.8 m -108.46 137.94 45.59 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.941 0.896 . . . . 0.0 111.776 174.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.11 122.15 13.67 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.912 1.685 . . . . 0.0 111.001 -174.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.522 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -122.9 156.08 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.987 1.715 . . . . 0.0 111.618 173.175 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.93 123.65 18.19 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.523 0.729 . . . . 0.0 111.502 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.53 49.92 0.02 OUTLIER Glycine 0 CA--C 1.532 1.131 0 C-N-CA 125.153 1.359 . . . . 0.0 111.393 -174.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -146.55 -159.9 1.08 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.839 2.056 . . . . 0.0 110.755 -159.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.63 150.26 67.43 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.798 1.239 . . . . 0.0 113.681 -174.304 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -79.76 48.25 2.79 Favored 'Trans proline' 0 CA--C 1.548 1.213 0 C-N-CA 124.88 3.72 . . . . 0.0 112.562 178.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 41.03 60.02 8.06 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 127.837 2.455 . . . . 0.0 114.994 -177.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -68.49 159.85 51.74 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.589 2.859 . . . . 0.0 112.61 176.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -124.05 156.48 36.45 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.512 1.525 . . . . 0.0 111.85 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -80.72 41.8 0.58 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.094 1.758 . . . . 0.0 113.221 179.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.2 m -74.91 155.45 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.883 1.273 . . . . 0.0 112.123 176.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -146.07 152.24 46.86 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 125.337 1.455 . . . . 0.0 111.872 -178.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -69.73 159.28 54.02 Favored 'Trans proline' 0 CA--C 1.546 1.113 0 C-N-CA 123.267 2.645 . . . . 0.0 112.584 176.072 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.41 -12.68 18.79 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 123.737 2.958 . . . . 0.0 114.287 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.4 mtp85 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.63 1.972 . . . . 0.0 111.584 -178.269 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 119.742 -0.171 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -148.86 161.1 42.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 129.352 3.061 . . . . 0.0 111.422 -4.405 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.77 161.87 38.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.31 1.444 . . . . 0.0 112.085 178.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -145.47 171.29 14.87 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.474 1.51 . . . . 0.0 111.136 177.12 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.74 19.87 0.37 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -170.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 m -139.53 152.12 22.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 128.435 2.694 . . . . 0.0 111.577 -175.296 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.3 153.76 37.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.105 0.962 . . . . 0.0 111.51 174.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -71.33 135.27 47.28 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.324 1.05 . . . . 0.0 111.428 177.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.47 -163.18 33.36 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.052 1.31 . . . . 0.0 112.576 -178.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -68.96 156.29 38.82 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.383 0.673 . . . . 0.0 112.024 174.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -114.33 69.27 0.71 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.839 1.656 . . . . 0.0 111.135 -171.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 mp -66.51 147.91 52.62 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.482 1.113 . . . . 0.0 111.485 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.44 178.91 47.72 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 127.292 2.377 . . . . 0.0 113.221 -2.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.1 165.81 26.16 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 128.156 2.582 . . . . 0.0 111.985 1.352 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.87 150.74 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.346 1.059 . . . . 0.0 113.149 -176.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.6 p -121.64 16.88 11.17 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.726 1.61 . . . . 0.0 113.066 177.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -148.52 17.72 1.04 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.35 2.26 . . . . 0.0 113.044 -167.146 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 52.91 36.42 21.7 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.825 2.05 . . . . 0.0 114.067 177.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 59.12 20.52 8.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.867 1.667 . . . . 0.0 113.969 -179.161 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -71.04 153.64 42.44 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 120.551 -1.343 . . . . 0.0 112.006 172.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -66.06 -21.57 66.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.237 1.015 . . . . 0.0 113.67 179.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.79 54.62 10.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.776 2.03 . . . . 0.0 113.694 170.321 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -66.53 138.25 57.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.521 0.729 . . . . 0.0 111.472 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 57.07 175.13 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.142 1.777 . . . . 0.0 114.682 -171.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.6 mt -130.32 139.8 50.68 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.187 1.395 . . . . 0.0 111.628 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.79 160.76 30.57 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.21 1.804 . . . . 0.0 110.636 175.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.25 151.32 81.17 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 123.204 2.603 . . . . 0.0 111.61 174.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -141.04 163.08 33.94 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -132.69 102.04 5.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 128.182 2.593 . . . . 0.0 109.505 -172.586 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mp -83.98 108.84 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.102 0.961 . . . . 0.0 108.536 175.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.93 13.63 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.647 1.179 . . . . 0.0 111.116 167.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.08 149.88 32.84 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.958 1.303 . . . . 0.0 110.64 170.299 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -138.83 140.89 38.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.02 0.928 . . . . 0.0 111.012 175.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -108.1 124.17 49.82 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 126.228 1.811 . . . . 0.0 111.204 -178.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.0 p -77.3 177.65 7.75 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.042 1.337 . . . . 0.0 111.353 178.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -73.4 -15.44 61.36 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.42 0.66 56.0 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.151 0.887 . . . . 0.0 112.739 170.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.93 4.79 88.39 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.224 1.392 . . . . 0.0 114.701 -168.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.68 120.03 17.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.7 1.25 . . . . 0.0 109.051 -178.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -102.37 134.39 45.75 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.646 0.736 . . . . 0.0 112.324 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.08 159.96 35.17 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.838 1.655 . . . . 0.0 111.715 178.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -112.44 128.95 56.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.439 1.496 . . . . 0.0 111.035 -174.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.54 110.0 32.37 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.549 1.14 . . . . 0.0 110.86 -177.185 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.67 123.55 8.13 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.035 3.157 . . . . 0.0 111.879 169.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.02 140.39 39.08 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.426 1.89 . . . . 0.0 111.395 171.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.86 160.12 24.85 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.41 -0.806 . . . . 0.0 111.182 175.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.38 -20.04 58.04 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.464 1.106 . . . . 0.0 113.57 178.417 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -71.95 -13.82 61.74 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.064 1.346 . . . . 0.0 113.471 172.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.34 160.67 22.57 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.716 2.007 . . . . 0.0 112.511 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -130.91 140.28 50.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.971 1.308 . . . . 0.0 111.177 172.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.4 mm -55.34 110.07 2.0 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 127.981 2.512 . . . . 0.0 111.872 -173.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.13 149.65 52.48 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 123.353 2.702 . . . . 0.0 110.715 168.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.09 -29.89 15.82 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.665 1.602 . . . . 0.0 115.131 179.262 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.6 p -139.91 160.36 40.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.056 0.928 . . . . 0.0 112.853 171.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -156.05 146.81 22.0 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.074 1.35 . . . . 0.0 112.251 -179.132 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 125.55 27.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.764 -1.21 . . . . 0.0 111.596 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.2 m -96.59 163.23 13.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.802 1.241 . . . . 0.0 113.069 -177.038 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -68.47 -13.48 62.34 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -174.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.11 -17.05 64.7 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.999 0.92 . . . . 0.0 112.723 168.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.65 13.48 59.53 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.558 1.551 . . . . 0.0 113.728 -174.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.8 tpt -115.54 148.99 38.88 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.207 1.403 . . . . 0.0 111.521 178.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.66 110.04 2.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.82 0.848 . . . . 0.0 110.131 172.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.27 146.48 21.85 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 124.477 1.037 . . . . 0.0 112.158 175.21 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.8 m -105.72 140.02 39.41 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.852 -0.793 . . . . 0.0 111.584 173.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 tp -59.19 123.31 16.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.309 1.443 . . . . 0.0 112.665 -177.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.402 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -131.1 156.0 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.556 1.542 . . . . 0.0 111.412 177.159 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -137.7 138.9 39.84 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.372 1.069 . . . . 0.0 111.915 -179.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.99 -9.72 27.3 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 116.389 1.316 . . . . 0.0 116.389 161.3 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t0 65.7 156.7 0.09 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.124 2.17 . . . . 0.0 115.272 -178.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.2 mp -71.4 157.09 90.72 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.716 1.606 . . . . 0.0 111.281 171.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -69.39 28.63 0.17 Allowed 'Trans proline' 0 CA--C 1.55 1.313 0 C-N-CA 124.785 3.657 . . . . 0.0 115.586 175.553 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 40.71 59.94 7.71 Favored Pre-proline 0 CA--C 1.552 1.055 0 C-N-CA 127.673 2.389 . . . . 0.0 113.503 -166.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.66 138.93 42.85 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.59 2.86 . . . . 0.0 112.131 -178.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -162.22 166.5 25.4 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.253 1.821 . . . . 0.0 111.948 -171.098 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -137.07 138.42 40.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.839 1.655 . . . . 0.0 110.766 174.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.7 m -80.18 142.18 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.052 0.941 . . . . 0.0 111.774 172.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -138.0 150.57 67.79 Favored Pre-proline 0 N--CA 1.479 1.019 0 C-N-CA 125.919 1.688 . . . . 0.0 110.247 -178.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.84 164.36 39.06 Favored 'Cis proline' 0 CA--C 1.55 1.315 0 CA-C-N 121.442 1.551 . . . . 0.0 114.517 -0.139 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -85.28 -50.15 0.16 OUTLIER 'Cis proline' 0 C--N 1.357 1.025 0 N-CA-C 116.841 1.823 . . . . 0.0 116.841 14.588 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 N--CA 1.482 1.151 0 C-N-CA 124.948 1.299 . . . . 0.0 113.216 -164.331 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.586 0.231 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.1 mtt -81.8 66.58 7.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.246 1.418 . . . . 0.0 111.731 -179.063 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.95 157.21 45.67 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.868 1.667 . . . . 0.0 111.999 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -150.6 171.32 17.29 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.917 1.687 . . . . 0.0 110.83 -178.418 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -76.81 19.96 0.26 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.433 1.493 . . . . 0.0 113.432 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.19 139.88 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 128.102 2.561 . . . . 0.0 107.985 175.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.83 141.53 57.66 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.391 0.677 . . . . 0.0 112.264 -176.648 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -81.6 159.97 23.92 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.097 1.359 . . . . 0.0 112.058 175.137 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.82 -166.62 54.57 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.392 0.996 . . . . 0.0 113.742 -175.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -149.74 168.72 22.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.167 1.387 . . . . 0.0 112.104 -179.148 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.81 142.27 48.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.544 1.937 . . . . 0.0 110.773 179.826 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -73.48 122.64 22.48 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.239 1.016 . . . . 0.0 112.456 -173.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.88 -7.13 9.95 Favored Glycine 0 CA--C 1.539 1.579 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 167.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.22 176.71 12.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.267 1.427 . . . . 0.0 112.32 -176.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -74.82 164.58 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.816 1.246 . . . . 0.0 112.913 175.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.3 t -147.0 145.95 29.9 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.135 1.374 . . . . 0.0 110.941 171.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -152.8 160.17 43.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.577 1.551 . . . . 0.0 111.867 -176.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.42 -12.4 60.04 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -172.095 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m 54.82 39.15 31.28 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.458 1.903 . . . . 0.0 113.094 178.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -80.37 29.71 0.29 Allowed 'General case' 0 CA--C 1.551 0.981 0 O-C-N 120.167 -1.583 . . . . 0.0 114.01 -177.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 mtp-105 -145.41 30.73 1.11 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 128.376 2.67 . . . . 0.0 110.937 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -61.06 136.06 57.96 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -162.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -154.58 148.12 25.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.274 2.229 . . . . 0.0 109.007 169.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t70 56.95 -169.87 0.1 Allowed 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.1 0.96 . . . . 0.0 112.764 -170.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.9 mt -75.99 70.01 2.65 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.41 -1.431 . . . . 0.0 112.285 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.94 131.81 23.84 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 125.815 1.646 . . . . 0.0 110.387 -174.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -80.05 96.69 1.03 Allowed 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.642 -1.399 . . . . 0.0 111.925 -56.189 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -141.13 166.26 25.26 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -178.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.47 113.0 12.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 128.419 2.687 . . . . 0.0 108.969 -178.665 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 mm -87.59 107.86 17.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 174.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 163.09 13.11 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.569 0.748 . . . . 0.0 110.97 170.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -120.11 148.85 43.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.949 1.3 . . . . 0.0 110.766 174.331 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -140.07 143.56 36.39 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.96 0.904 . . . . 0.0 111.843 176.636 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -109.25 125.25 52.08 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.88 2.072 . . . . 0.0 111.052 -178.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.4 p -78.13 177.18 8.56 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.141 1.376 . . . . 0.0 111.401 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.07 -11.15 59.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.428 -0.795 . . . . 0.0 112.598 -178.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -98.47 11.83 37.01 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.431 1.892 . . . . 0.0 111.553 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.95 1.63 89.91 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.479 1.99 . . . . 0.0 115.151 -178.232 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.8 120.12 25.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.542 0.671 . . . . 0.0 110.21 -167.651 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -102.46 127.58 49.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.349 0.659 . . . . 0.0 111.684 -176.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -126.78 163.68 23.02 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.966 1.706 . . . . 0.0 111.651 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.2 mp0 -109.92 138.26 46.54 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.829 1.252 . . . . 0.0 111.827 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 t -126.49 110.04 23.27 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 125.077 1.351 . . . . 0.0 110.211 177.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -71.11 130.02 17.05 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 124.231 3.287 . . . . 0.0 111.759 169.293 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -117.26 142.31 47.22 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.518 1.927 . . . . 0.0 111.31 173.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.44 159.3 21.79 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.188 -0.945 . . . . 0.0 111.529 178.031 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.27 -20.38 58.79 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 176.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.74 -11.86 60.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.41 172.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -117.95 174.06 6.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.16 2.184 . . . . 0.0 112.753 -177.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -132.55 167.12 20.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.208 1.803 . . . . 0.0 111.102 171.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.0 mm -88.51 109.99 33.4 Favored Pre-proline 0 CA--C 1.538 0.489 0 C-N-CA 126.839 2.056 . . . . 0.0 109.431 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -71.38 151.92 60.21 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.564 2.842 . . . . 0.0 110.609 168.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.95 15.62 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.388 1.47 . . . . 0.0 115.075 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.3 p -140.07 160.09 40.73 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.286 1.043 . . . . 0.0 112.472 171.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.14 148.2 20.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.483 1.513 . . . . 0.0 111.994 -178.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 125.79 27.39 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.828 -1.17 . . . . 0.0 111.984 -179.318 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.8 m -93.69 164.58 13.09 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.613 1.165 . . . . 0.0 112.701 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -67.65 -14.89 63.33 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -176.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.32 -17.11 63.68 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 118.792 0.724 . . . . 0.0 112.766 169.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.05 14.25 56.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.489 1.519 . . . . 0.0 113.965 -177.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.3 tpp -111.74 147.89 34.65 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.147 1.779 . . . . 0.0 110.779 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.52 110.03 4.0 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.667 -0.646 . . . . 0.0 109.996 172.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.28 149.35 27.59 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.233 0.92 . . . . 0.0 112.312 175.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 61.5 m -103.9 139.01 39.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.766 0.826 . . . . 0.0 111.445 172.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 121.46 11.94 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.259 1.423 . . . . 0.0 110.722 -176.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.502 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -125.0 156.04 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 125.596 1.558 . . . . 0.0 112.722 179.358 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -103.21 141.77 35.31 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.96 1.304 . . . . 0.0 111.356 173.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.07 -46.51 0.08 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.358 0.98 . . . . 0.0 112.839 172.668 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -145.0 102.8 3.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.539 1.536 . . . . 0.0 109.043 168.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.5 mt -130.08 155.62 80.44 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 126.029 1.732 . . . . 0.0 111.065 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -78.11 59.85 7.15 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 C-N-CA 124.524 3.483 . . . . 0.0 112.065 179.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 38.31 66.15 2.66 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 128.341 2.656 . . . . 0.0 115.332 -177.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -60.09 165.28 10.81 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.215 2.61 . . . . 0.0 114.146 172.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -62.08 157.69 18.39 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.543 1.137 . . . . 0.0 113.361 176.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -66.92 138.01 56.97 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.465 1.106 . . . . 0.0 111.146 174.096 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.7 m -138.89 162.09 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 126.45 1.9 . . . . 0.0 111.052 178.112 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -127.35 156.87 74.25 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 125.645 1.578 . . . . 0.0 111.758 178.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.91 152.54 63.52 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 123.301 2.668 . . . . 0.0 113.883 178.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -68.97 152.48 73.33 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.454 2.769 . . . . 0.0 112.382 176.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.306 1.842 . . . . 0.0 111.692 -179.687 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 119.773 -0.156 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -98.63 155.25 17.4 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.131 2.972 . . . . 0.0 111.003 -4.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.89 178.29 5.66 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 128.715 2.806 . . . . 0.0 113.509 -1.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -141.48 159.25 42.6 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.683 1.593 . . . . 0.0 111.378 177.231 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -72.49 146.63 46.71 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.593 1.157 . . . . 0.0 112.205 -178.202 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.5 158.18 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.402 1.881 . . . . 0.0 111.707 -179.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.3 mt -75.51 155.23 36.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.208 1.003 . . . . 0.0 111.635 171.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -82.81 144.62 30.01 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.183 1.393 . . . . 0.0 111.591 175.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.22 95.84 1.03 Allowed Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.14 1.352 . . . . 0.0 111.386 165.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.7 p -147.96 -46.07 0.16 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 120.999 2.4 . . . . 0.0 113.661 -1.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.6 mtp-105 -69.33 141.12 54.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -170.054 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.76 -39.8 11.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.78 2.432 . . . . 0.0 112.597 -3.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.97 4.66 59.15 Favored Glycine 0 CA--C 1.54 1.64 0 N-CA-C 117.291 1.677 . . . . 0.0 117.291 -167.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 52.5 29.89 7.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.181 1.792 . . . . 0.0 114.844 -168.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 m -143.85 157.46 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 128.248 2.619 . . . . 0.0 109.513 171.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.8 m -91.9 141.19 28.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.937 0.895 . . . . 0.0 112.127 -176.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -156.86 -40.19 0.07 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -178.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -161.39 43.55 0.16 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.321 2.249 . . . . 0.0 108.613 -178.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -115.9 143.45 45.41 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.631 1.172 . . . . 0.0 113.408 -148.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -126.03 148.51 49.29 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 111.416 -175.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -11.41 60.72 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -177.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -133.82 62.68 1.65 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.541 1.936 . . . . 0.0 109.058 175.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -66.03 -30.69 71.27 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -156.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -141.21 152.54 44.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.15 1.38 . . . . 0.0 111.917 172.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -139.56 143.34 37.3 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.217 1.807 . . . . 0.0 110.312 173.067 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 50.06 72.41 1.25 Allowed Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 125.433 1.493 . . . . 0.0 113.378 176.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.53 125.66 19.77 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.729 2.953 . . . . 0.0 110.86 177.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -141.15 167.68 21.6 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -165.386 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.39 103.93 5.44 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 128.285 2.634 . . . . 0.0 109.792 -178.477 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 109.8 15.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 O-C-N 121.065 -1.022 . . . . 0.0 108.254 170.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.98 154.4 17.33 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.229 1.012 . . . . 0.0 110.34 164.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -104.6 153.91 20.61 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.829 0.852 . . . . 0.0 110.218 168.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -140.3 139.25 35.43 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.603 1.161 . . . . 0.0 111.491 173.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.4 ttp180 -106.47 124.52 49.73 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.022 1.729 . . . . 0.0 111.363 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.7 p -78.64 177.07 8.89 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.626 1.17 . . . . 0.0 111.681 179.05 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -73.52 -14.96 61.31 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.19 0.41 56.11 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 119.141 0.882 . . . . 0.0 112.752 170.298 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.62 4.02 87.87 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.262 1.41 . . . . 0.0 114.766 -168.396 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.94 120.03 17.99 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.686 1.243 . . . . 0.0 109.126 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -102.35 132.72 48.15 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.538 0.685 . . . . 0.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.2 159.93 34.52 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.555 1.542 . . . . 0.0 111.718 178.567 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -110.01 131.62 54.9 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.827 -176.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.44 108.83 31.25 Favored Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 110.198 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -75.18 123.21 7.62 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.662 2.908 . . . . 0.0 111.473 170.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -105.13 143.61 33.08 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.597 1.959 . . . . 0.0 111.061 171.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 159.39 21.66 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.386 -0.821 . . . . 0.0 111.009 174.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -60.54 -19.93 58.77 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.58 1.152 . . . . 0.0 113.581 178.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -72.01 -13.38 61.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.943 1.297 . . . . 0.0 113.333 172.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -119.24 167.53 11.77 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.137 2.175 . . . . 0.0 112.289 178.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.92 148.79 47.21 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.839 1.256 . . . . 0.0 111.716 170.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.21 110.13 3.23 Favored Pre-proline 0 N--CA 1.47 0.534 0 C-N-CA 128.224 2.61 . . . . 0.0 111.491 -172.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -71.6 149.81 55.99 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.266 2.644 . . . . 0.0 110.715 168.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.82 15.51 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.631 1.586 . . . . 0.0 115.458 -179.379 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 79.0 p -140.13 159.49 42.07 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.16 0.98 . . . . 0.0 112.399 171.307 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -155.97 148.04 23.34 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.331 1.452 . . . . 0.0 112.067 -179.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.53 125.12 26.23 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.053 -1.029 . . . . 0.0 111.589 -177.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.6 m -95.41 163.7 13.13 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.927 1.291 . . . . 0.0 113.111 -177.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -71.05 -11.02 60.73 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -67.83 -17.14 64.41 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.146 0.979 . . . . 0.0 112.568 166.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.13 16.09 54.57 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 125.481 1.515 . . . . 0.0 113.759 -175.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.83 149.34 41.69 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.147 1.379 . . . . 0.0 111.659 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -63.77 110.02 1.92 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.991 0.916 . . . . 0.0 110.261 171.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.97 148.18 21.42 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 124.59 1.091 . . . . 0.0 112.331 175.276 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.4 m -108.26 138.0 45.28 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.605 -0.938 . . . . 0.0 112.142 175.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 121.85 12.85 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.082 1.753 . . . . 0.0 111.839 -171.111 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -127.86 156.02 39.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.476 1.91 . . . . 0.0 110.577 169.179 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.58 125.79 27.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.73 62.72 2.38 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.231 1.395 . . . . 0.0 112.022 167.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -79.96 61.06 3.73 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.89 1.676 . . . . 0.0 113.136 -168.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -72.58 151.64 91.55 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 125.065 1.346 . . . . 0.0 111.767 175.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -79.77 52.18 4.19 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 124.616 3.544 . . . . 0.0 112.28 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 34.95 59.98 2.38 Favored Pre-proline 0 CA--C 1.555 1.15 0 C-N-CA 128.058 2.543 . . . . 0.0 115.379 -173.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.77 141.68 91.22 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.93 2.42 . . . . 0.0 114.098 -173.365 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -146.91 -60.02 0.29 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.226 1.41 . . . . 0.0 111.928 174.36 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -93.65 56.5 2.38 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.846 1.658 . . . . 0.0 111.016 176.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.45 140.63 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.985 1.714 . . . . 0.0 110.196 -172.366 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -131.38 158.02 76.48 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 126.07 1.748 . . . . 0.0 111.334 177.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -58.8 151.78 61.84 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 123.312 2.675 . . . . 0.0 113.817 177.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.69 -16.29 16.67 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.57 2.847 . . . . 0.0 114.188 -177.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.551 1.941 . . . . 0.0 111.613 -178.229 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.6 mtt -68.66 -8.49 42.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.778 1.77 . . . . 0.0 115.778 -168.485 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.07 -14.64 49.96 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.743 1.217 . . . . 0.0 113.853 173.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -82.14 107.17 14.62 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.062 0.945 . . . . 0.0 110.984 177.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -140.75 155.48 46.42 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.125 1.37 . . . . 0.0 112.183 -170.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.79 19.98 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.508 1.523 . . . . 0.0 114.111 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -80.97 -17.52 50.13 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.41 1.484 . . . . 0.0 113.303 -179.412 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -87.07 159.25 19.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.529 1.532 . . . . 0.0 111.911 177.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.81 -164.11 11.55 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.808 1.194 . . . . 0.0 114.432 -179.536 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -63.15 -18.02 63.0 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.025 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -117.04 130.54 56.74 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.642 1.577 . . . . 0.0 109.466 161.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mp -109.89 5.63 22.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.608 1.563 . . . . 0.0 113.748 -168.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.78 -28.47 6.47 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.431 1.491 . . . . 0.0 113.712 -174.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.87 172.16 12.07 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.24 1.016 . . . . 0.0 110.867 157.606 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.9 t -68.23 105.78 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.089 -1.007 . . . . 0.0 110.185 177.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.3 p -162.07 151.43 15.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.68 1.592 . . . . 0.0 111.359 -168.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -160.87 161.04 31.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.808 1.243 . . . . 0.0 112.397 -170.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.16 -2.18 43.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -179.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.1 p 64.53 153.77 0.06 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 128.788 2.835 . . . . 0.0 115.612 -173.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -80.57 156.39 26.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.452 1.101 . . . . 0.0 112.413 178.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -134.1 155.28 50.34 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.602 1.561 . . . . 0.0 112.057 -169.221 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -101.48 7.33 42.49 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 129.67 3.188 . . . . 0.0 113.468 0.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -69.38 166.39 18.75 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.261 1.424 . . . . 0.0 113.322 178.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -142.33 161.99 36.61 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.469 1.507 . . . . 0.0 113.12 -179.126 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.2 143.92 50.96 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.809 1.644 . . . . 0.0 110.069 169.097 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.83 153.25 80.96 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 125.436 1.494 . . . . 0.0 112.628 -177.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -77.94 -149.83 0.04 OUTLIER 'Trans proline' 0 CA--C 1.543 0.975 1 C-N-CA 125.341 4.027 . . . . 0.0 112.108 177.524 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -48.89 150.81 1.38 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.311 2.244 . . . . 0.0 115.723 -165.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.68 101.99 6.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 127.339 2.256 . . . . 0.0 109.895 -162.397 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -83.45 107.27 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.141 0.976 . . . . 0.0 108.641 174.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 162.48 13.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.81 1.244 . . . . 0.0 111.231 168.122 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -113.51 147.75 37.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.141 1.376 . . . . 0.0 110.529 171.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -138.65 142.47 39.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.149 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttm-85 -110.03 125.06 52.52 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 111.002 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.1 p -79.22 178.82 7.78 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.329 1.451 . . . . 0.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.42 -16.34 61.83 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.12 3.15 55.53 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 119.164 0.893 . . . . 0.0 112.951 171.34 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.16 6.63 89.24 Favored Glycine 0 N--CA 1.47 0.939 0 C-N-CA 124.995 1.284 . . . . 0.0 114.634 -168.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.57 120.14 17.78 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.433 1.117 . . . . 0.0 108.385 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -102.46 131.71 48.95 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.106 0.562 . . . . 0.0 111.409 -178.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -127.21 164.15 22.33 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.654 1.582 . . . . 0.0 111.831 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.28 136.5 50.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.413 1.085 . . . . 0.0 110.827 178.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.67 110.06 33.89 Favored Pre-proline 0 N--CA 1.471 0.589 0 C-N-CA 125.036 1.334 . . . . 0.0 110.118 179.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.0 119.4 5.07 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.514 2.81 . . . . 0.0 111.453 172.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -102.11 139.98 37.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.555 1.542 . . . . 0.0 111.155 172.231 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 163.61 24.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.578 0.751 . . . . 0.0 112.283 -176.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -50.56 -26.51 5.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.62 1.568 . . . . 0.0 113.961 172.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -81.24 -11.86 59.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.648 1.579 . . . . 0.0 113.917 178.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.43 158.7 33.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.782 1.633 . . . . 0.0 113.324 -173.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -132.75 149.14 52.32 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.183 1.393 . . . . 0.0 111.902 177.398 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.9 mm -65.04 110.16 3.84 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 128.727 2.811 . . . . 0.0 112.607 -170.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.98 150.45 48.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.654 2.902 . . . . 0.0 111.127 166.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.96 -29.97 15.1 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.855 1.693 . . . . 0.0 115.494 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.0 p -139.94 159.43 42.19 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.123 0.969 . . . . 0.0 112.656 172.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -158.23 148.03 19.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.128 1.371 . . . . 0.0 112.326 -177.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 125.45 26.67 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.794 -1.191 . . . . 0.0 111.94 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 93.8 m -89.53 165.19 14.44 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.498 1.119 . . . . 0.0 112.495 -179.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -67.74 -16.1 63.96 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -175.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.25 -17.04 63.72 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.161 1.384 . . . . 0.0 113.247 170.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.93 12.68 61.78 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.035 1.302 . . . . 0.0 113.696 -174.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.3 tpp -112.08 146.2 38.39 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.594 1.558 . . . . 0.0 110.937 177.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.32 110.03 3.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.664 0.785 . . . . 0.0 110.475 175.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.53 149.59 22.75 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 124.382 0.991 . . . . 0.0 113.053 176.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -107.31 140.63 39.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.91 0.884 . . . . 0.0 111.34 172.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.29 121.94 12.66 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.395 1.478 . . . . 0.0 113.142 -176.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.403 HD13 ' H ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -133.29 156.04 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.075 1.75 . . . . 0.0 112.127 177.468 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -102.28 150.2 23.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.506 1.122 . . . . 0.0 111.143 170.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.4 -20.33 60.55 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.117 0.865 . . . . 0.0 115.128 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -120.64 -159.95 0.82 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.053 2.141 . . . . 0.0 111.933 -172.449 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 mp -55.62 144.3 55.25 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.443 1.497 . . . . 0.0 112.572 -174.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -76.68 -9.47 29.37 Favored 'Cis proline' 0 C--N 1.354 0.868 0 N-CA-C 116.735 1.783 . . . . 0.0 116.735 8.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -127.07 68.98 73.04 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.995 1.318 . . . . 0.0 112.224 -173.468 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -66.3 144.13 73.16 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.183 2.588 . . . . 0.0 112.718 -177.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -148.73 146.26 28.01 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.024 1.329 . . . . 0.0 112.581 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -83.59 52.92 2.37 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.01 1.724 . . . . 0.0 112.758 -173.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.4 m -78.17 164.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.09 1.356 . . . . 0.0 112.442 178.487 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -105.27 134.64 19.57 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 125.327 1.451 . . . . 0.0 111.024 176.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -70.11 161.71 86.62 Favored 'Cis proline' 0 CA--C 1.55 1.293 0 CA-C-N 120.035 1.048 . . . . 0.0 112.377 -8.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -65.25 -15.7 51.29 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.394 2.729 . . . . 0.0 116.049 -174.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 126.202 1.801 . . . . 0.0 111.096 179.18 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.4 tpt -73.73 -32.93 64.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.813 0.845 . . . . 0.0 113.222 -177.094 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.57 31.57 12.72 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.887 1.675 . . . . 0.0 115.031 178.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.21 156.24 37.47 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.97 1.308 . . . . 0.0 113.694 178.312 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -120.03 160.28 23.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 130.904 3.682 . . . . 0.0 112.267 -0.597 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 m -131.35 156.84 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.209 1.804 . . . . 0.0 111.879 -177.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.96 162.68 24.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.662 1.185 . . . . 0.0 112.111 175.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -127.24 147.73 50.22 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.945 1.698 . . . . 0.0 111.341 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.95 -9.1 70.42 Favored Glycine 0 CA--C 1.539 1.583 0 N-CA-C 115.915 1.126 . . . . 0.0 115.915 -176.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 t -148.11 149.87 32.83 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.336 1.454 . . . . 0.0 111.508 176.191 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -93.04 95.87 9.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.426 1.49 . . . . 0.0 110.164 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.1 142.62 47.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.614 0.765 . . . . 0.0 110.373 174.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.18 30.82 78.81 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 123.734 0.683 . . . . 0.0 114.427 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.61 137.81 58.13 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.485 1.114 . . . . 0.0 113.666 -173.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.71 153.84 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.938 2.095 . . . . 0.0 110.869 177.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 81.2 p -84.86 162.18 19.61 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 128.524 2.73 . . . . 0.0 113.672 -1.447 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -113.29 1.62 15.24 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.129 1.771 . . . . 0.0 113.945 -178.598 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 52.07 34.89 14.96 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.88 2.072 . . . . 0.0 114.484 173.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 58.67 24.09 11.75 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.487 1.515 . . . . 0.0 113.999 -177.567 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t0 62.15 163.8 0.09 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.334 2.254 . . . . 0.0 115.173 -176.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.02 147.92 49.48 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.933 1.293 . . . . 0.0 112.755 -175.659 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -74.96 157.3 35.18 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.119 1.368 . . . . 0.0 112.154 177.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -68.82 -37.49 79.24 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.598 -0.689 . . . . 0.0 111.652 168.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.6 -177.86 0.08 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.624 2.37 . . . . 0.0 116.315 166.2 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.24 69.98 10.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.7 1.2 . . . . 0.0 111.764 -172.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.72 141.66 25.12 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.402 1.881 . . . . 0.0 110.804 173.754 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -72.86 69.87 3.64 Favored 'Trans proline' 0 CA--C 1.546 1.101 0 C-N-CA 123.426 2.751 . . . . 0.0 113.393 177.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -141.1 164.27 30.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.95 1.7 . . . . 0.0 114.129 178.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.44 117.84 14.71 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 127.711 2.404 . . . . 0.0 110.181 -178.057 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 mm -88.63 110.11 20.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 124.266 1.026 . . . . 0.0 109.13 169.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.91 154.41 17.32 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.424 0.631 . . . . 0.0 110.367 162.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -108.19 151.53 25.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.086 0.954 . . . . 0.0 109.594 167.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.58 137.78 38.89 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.878 0.871 . . . . 0.0 111.002 173.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt85 -104.18 125.43 50.47 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.884 1.674 . . . . 0.0 110.965 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.2 p -77.91 176.71 8.85 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.786 1.234 . . . . 0.0 111.275 178.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.36 -12.13 59.99 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.339 -0.851 . . . . 0.0 112.463 -178.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -95.96 11.53 33.61 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.105 1.762 . . . . 0.0 111.711 175.067 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.77 0.55 89.51 Favored Glycine 0 N--CA 1.473 1.145 0 C-N-CA 126.427 1.965 . . . . 0.0 115.087 -178.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.83 120.1 25.65 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.261 0.624 . . . . 0.0 110.072 -167.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -102.42 130.46 49.2 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.706 0.765 . . . . 0.0 112.071 -177.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -129.95 160.21 34.29 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.379 1.471 . . . . 0.0 111.677 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.99 132.79 53.84 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.474 1.11 . . . . 0.0 110.723 -173.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 t -120.11 109.57 37.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.121 0.968 . . . . 0.0 109.123 179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.16 128.33 10.51 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.027 2.484 . . . . 0.0 110.736 173.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -116.07 143.92 44.83 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.817 1.647 . . . . 0.0 110.807 175.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.4 159.82 19.25 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.246 -0.909 . . . . 0.0 111.024 173.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.73 -20.0 60.21 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.579 1.151 . . . . 0.0 113.523 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.91 -13.76 61.74 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.834 1.254 . . . . 0.0 113.356 172.276 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.41 162.67 17.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.739 2.016 . . . . 0.0 112.456 178.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.32 139.43 48.18 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.863 1.265 . . . . 0.0 111.362 173.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.6 mm -59.14 110.2 2.49 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 128.244 2.617 . . . . 0.0 111.932 -174.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.4 149.93 51.35 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.376 2.717 . . . . 0.0 110.941 168.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.04 -30.01 15.67 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.681 1.61 . . . . 0.0 115.589 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -139.92 160.4 40.0 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.235 1.017 . . . . 0.0 112.369 171.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -157.52 148.09 21.06 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.135 1.374 . . . . 0.0 112.368 -178.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 125.89 27.79 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.875 -1.141 . . . . 0.0 111.736 -178.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.7 m -94.38 165.57 12.5 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.886 1.275 . . . . 0.0 113.113 -178.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -66.47 -20.01 65.94 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -175.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -69.08 -17.11 63.83 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 123.632 0.773 . . . . 0.0 112.895 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.65 13.91 54.18 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.633 1.587 . . . . 0.0 114.012 -178.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 12.4 tpt -110.74 148.54 32.1 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.894 1.678 . . . . 0.0 110.855 175.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.58 110.06 3.53 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.608 -0.682 . . . . 0.0 109.833 171.459 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.12 149.51 26.53 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.598 1.094 . . . . 0.0 112.305 176.095 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.1 m -106.25 138.2 42.85 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.93 -0.747 . . . . 0.0 111.867 174.094 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.5 tp -55.61 124.62 17.95 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.624 1.57 . . . . 0.0 115.025 -175.297 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.01 156.12 41.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 127.708 2.403 . . . . 0.0 109.754 167.226 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -60.03 113.11 2.15 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.212 -0.93 . . . . 0.0 113.173 -173.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.85 65.11 1.49 Allowed Glycine 0 CA--C 1.534 1.248 0 C-N-CA 126.102 1.81 . . . . 0.0 112.814 172.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.89 92.17 5.48 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.479 1.511 . . . . 0.0 111.083 -175.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.19 161.58 47.77 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 125.389 1.476 . . . . 0.0 113.2 -178.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -118.36 80.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.554 1.508 0 C-N-CA 123.842 3.028 . . . . 0.0 114.67 -166.123 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -139.4 59.83 15.37 Favored Pre-proline 0 CA--C 1.559 1.306 0 O-C-N 116.61 -3.806 . . . . 0.0 111.743 3.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -69.92 148.82 64.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.102 2.534 . . . . 0.0 111.834 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -145.58 142.58 29.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.13 1.372 . . . . 0.0 111.739 -176.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -102.9 152.2 21.57 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 110.842 174.293 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.1 t -84.31 66.71 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.545 1.138 . . . . 0.0 110.65 -175.629 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -137.34 145.99 52.03 Favored Pre-proline 0 N--CA 1.475 0.797 0 C-N-CA 125.814 1.646 . . . . 0.0 111.528 179.095 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -73.68 157.04 48.72 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 123.286 2.657 . . . . 0.0 112.391 176.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.03 154.71 66.4 Favored 'Trans proline' 0 CA--C 1.547 1.158 0 C-N-CA 123.385 2.723 . . . . 0.0 111.937 173.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 . . . . . 0 C--O 1.25 1.121 0 C-N-CA 130.167 3.387 . . . . 0.0 110.451 -1.72 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.354 0.121 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 12.7 ttt -141.33 55.36 1.53 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.313 1.445 . . . . 0.0 110.926 175.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.02 -22.66 65.9 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.086 -1.009 . . . . 0.0 113.499 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -71.4 -15.44 62.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.052 1.741 . . . . 0.0 113.996 171.291 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 61.12 169.26 0.1 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 128.434 2.694 . . . . 0.0 116.264 171.526 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.2 t -87.43 153.2 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.056 1.743 . . . . 0.0 108.294 175.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.07 96.34 9.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.156 1.382 . . . . 0.0 110.529 173.16 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -121.5 111.94 17.88 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 129.955 3.302 . . . . 0.0 110.395 -2.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.35 -153.41 24.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.839 1.209 . . . . 0.0 113.444 -177.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.9 p -143.19 169.2 18.05 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.023 1.329 . . . . 0.0 112.364 176.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -89.44 0.51 56.81 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.154 1.382 . . . . 0.0 113.977 178.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.47 131.24 46.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.952 0.901 . . . . 0.0 112.126 -172.245 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.85 13.26 66.07 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 124.564 1.078 . . . . 0.0 115.589 179.739 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.63 177.28 8.8 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.239 1.416 . . . . 0.0 113.045 -172.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.1 161.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.052 0.941 . . . . 0.0 111.9 165.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -68.53 141.79 55.43 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -176.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -134.18 155.26 50.43 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.486 1.914 . . . . 0.0 112.622 -172.409 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.62 -34.13 77.51 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 130.848 3.659 . . . . 0.0 115.573 15.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 p -148.47 161.59 41.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.155 2.182 . . . . 0.0 111.174 167.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -149.58 149.98 31.52 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.134 1.374 . . . . 0.0 111.226 176.479 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -121.85 11.66 10.42 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -175.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -126.33 -18.42 4.92 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.371 1.468 . . . . 0.0 114.104 -179.254 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.77 121.16 14.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.354 1.061 . . . . 0.0 110.82 170.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -157.49 172.89 17.76 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.349 1.46 . . . . 0.0 111.953 -179.288 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -114.27 146.68 40.14 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.387 1.475 . . . . 0.0 111.207 170.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.39 162.57 41.7 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.691 1.596 . . . . 0.0 111.802 -179.077 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -55.98 120.85 8.96 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.14 3.226 . . . . 0.0 112.269 177.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -141.16 167.1 23.0 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.51 1.524 . . . . 0.0 114.941 -172.271 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 101.96 5.24 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 128.474 2.709 . . . . 0.0 109.408 -173.818 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.38 108.96 13.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.03 155.3 16.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.229 1.012 . . . . 0.0 110.436 164.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -105.61 151.73 23.99 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.978 0.911 . . . . 0.0 110.489 168.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -138.3 137.76 37.74 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.299 1.039 . . . . 0.0 111.445 173.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -104.82 124.09 48.83 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.819 1.647 . . . . 0.0 111.259 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.8 p -77.77 177.89 7.8 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.09 1.356 . . . . 0.0 111.697 179.718 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.17 -16.03 61.97 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -177.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.77 2.54 55.94 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.232 0.924 . . . . 0.0 112.899 171.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.04 88.68 Favored Glycine 0 N--CA 1.47 0.958 0 C-N-CA 125.14 1.352 . . . . 0.0 114.753 -169.272 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.87 120.05 18.92 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.515 1.157 . . . . 0.0 108.841 -177.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -102.42 132.24 48.56 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.479 0.656 . . . . 0.0 112.35 -178.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -130.07 160.9 32.3 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -109.96 133.28 53.35 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.721 1.208 . . . . 0.0 110.998 -176.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.6 t -121.12 109.84 35.04 Favored Pre-proline 0 N--CA 1.47 0.526 0 C-N-CA 124.376 1.071 . . . . 0.0 109.456 178.278 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -79.5 118.42 3.89 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.218 2.612 . . . . 0.0 111.13 173.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -101.39 141.38 34.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.888 1.675 . . . . 0.0 111.271 174.307 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.97 158.74 26.51 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.375 -0.828 . . . . 0.0 111.028 174.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -59.34 -19.97 50.92 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.823 1.249 . . . . 0.0 113.749 178.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.08 -12.57 61.27 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.872 1.269 . . . . 0.0 113.369 172.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.83 160.84 23.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.812 2.045 . . . . 0.0 112.665 -179.489 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.08 141.04 50.12 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.06 1.344 . . . . 0.0 111.304 174.01 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.5 mm -57.3 110.07 2.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 128.205 2.602 . . . . 0.0 111.677 -173.723 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.66 150.05 49.99 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 123.325 2.683 . . . . 0.0 110.689 168.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.95 -29.91 14.96 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.552 -179.184 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 77.8 p -140.33 159.76 41.48 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.295 1.048 . . . . 0.0 112.329 171.343 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -156.97 148.0 21.87 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.294 1.438 . . . . 0.0 112.058 -179.02 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 125.12 25.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.976 -1.078 . . . . 0.0 111.636 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.6 m -92.04 165.08 13.37 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.486 1.115 . . . . 0.0 112.736 -178.689 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -64.77 -19.47 65.83 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -176.06 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -67.74 -17.03 64.41 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.896 1.278 . . . . 0.0 113.0 172.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.86 13.44 60.84 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 125.243 1.402 . . . . 0.0 113.758 -174.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.2 tpp -113.29 147.48 37.5 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.708 1.603 . . . . 0.0 111.158 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -67.71 109.97 3.55 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.654 0.782 . . . . 0.0 110.301 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.12 149.39 22.98 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 124.422 1.01 . . . . 0.0 112.81 176.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.9 m -109.09 137.89 46.29 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.941 0.897 . . . . 0.0 112.022 174.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.06 122.81 15.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.188 1.795 . . . . 0.0 111.769 -171.033 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.84 154.9 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 125.83 1.652 . . . . 0.0 111.301 169.435 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -74.34 95.94 2.76 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.222 1.009 . . . . 0.0 112.222 -178.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.96 44.91 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.033 0.825 . . . . 0.0 113.846 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -159.73 143.89 14.75 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.221 2.209 . . . . 0.0 109.045 176.405 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.42 129.05 25.54 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 125.139 1.376 . . . . 0.0 111.071 176.545 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.37 -35.51 2.85 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.137 1.892 . . . . 0.0 111.575 165.325 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -141.26 79.94 17.2 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 126.269 1.828 . . . . 0.0 111.842 -177.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -46.94 140.76 12.91 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.034 3.156 . . . . 0.0 114.825 168.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -121.05 23.62 10.53 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.086 1.754 . . . . 0.0 112.619 179.394 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -59.58 113.49 2.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.487 1.115 . . . . 0.0 110.487 -175.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.297 21.0 m 47.44 30.09 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 127.471 2.308 . . . . 0.0 115.641 -171.824 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -102.0 145.43 30.48 Favored Pre-proline 0 N--CA 1.48 1.039 0 C-N-CA 125.399 1.48 . . . . 0.0 112.457 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.37 168.96 21.99 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 123.959 3.106 . . . . 0.0 113.126 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -63.53 -26.36 69.92 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.512 2.808 . . . . 0.0 114.748 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.46 1.904 . . . . 0.0 111.322 179.751 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.3 ttp -70.42 -48.96 53.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.835 0.854 . . . . 0.0 112.253 -179.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.11 159.45 26.1 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.644 2.377 . . . . 0.0 108.809 169.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.76 159.54 10.84 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 130.941 3.696 . . . . 0.0 114.482 -0.131 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -126.56 76.06 1.6 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.178 1.791 . . . . 0.0 110.783 176.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.5 t 55.24 68.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 126.893 2.077 . . . . 0.0 112.622 -178.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.8 mt 56.42 60.62 3.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.447 2.299 . . . . 0.0 114.004 173.055 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -62.86 124.97 22.42 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.918 0.887 . . . . 0.0 112.124 172.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.37 151.13 16.68 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 129.996 3.665 . . . . 0.0 112.563 -8.395 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -87.0 -14.36 41.84 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.923 1.289 . . . . 0.0 114.434 -177.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.12 132.86 50.28 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.329 1.452 . . . . 0.0 111.063 178.285 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -136.82 159.6 41.36 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.64 1.976 . . . . 0.0 110.453 170.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.3 -3.3 24.06 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.328 1.291 . . . . 0.0 116.328 175.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.12 151.55 33.33 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.258 1.823 . . . . 0.0 110.638 177.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -65.13 144.82 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.391 0.676 . . . . 0.0 112.179 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 p -92.52 3.17 56.03 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.948 2.899 . . . . 0.0 114.792 1.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.305 52.9 p90 46.49 -160.0 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.071 2.149 . . . . 0.0 115.077 -177.444 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.31 19.0 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -173.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.7 p -70.41 158.0 36.79 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.704 -1.247 . . . . 0.0 113.101 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.85 144.5 39.26 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.513 1.125 . . . . 0.0 110.813 169.077 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -89.1 -21.74 23.23 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.5 1.12 . . . . 0.0 113.892 -176.357 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -112.74 -40.43 4.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.07 1.348 . . . . 0.0 112.655 -175.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -91.49 161.37 15.0 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.326 1.451 . . . . 0.0 112.567 -174.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -131.69 156.78 45.29 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.524 1.53 . . . . 0.0 111.543 175.653 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -128.85 149.03 50.93 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.526 1.53 . . . . 0.0 111.354 177.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.2 162.66 41.78 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 125.879 1.672 . . . . 0.0 111.391 178.205 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -62.14 141.01 86.92 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.483 2.789 . . . . 0.0 112.021 177.546 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -141.08 166.81 23.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -173.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.37 102.54 5.58 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 128.436 2.694 . . . . 0.0 109.238 -174.342 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.2 mp -79.64 107.85 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 173.465 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.54 14.28 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.544 1.138 . . . . 0.0 110.745 166.023 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -113.02 151.17 30.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.744 1.218 . . . . 0.0 110.855 172.176 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -141.23 142.1 33.97 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.322 1.049 . . . . 0.0 111.689 175.76 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -109.97 124.26 51.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.973 2.109 . . . . 0.0 110.813 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -80.96 179.03 8.04 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.11 1.364 . . . . 0.0 111.633 -177.302 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.81 -16.4 62.17 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -178.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -91.38 3.09 55.76 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.162 0.892 . . . . 0.0 112.814 170.867 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.36 8.8 87.22 Favored Glycine 0 N--CA 1.469 0.899 0 C-N-CA 125.058 1.313 . . . . 0.0 114.884 -168.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.37 120.0 19.34 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.564 1.182 . . . . 0.0 108.666 -179.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -102.56 129.95 49.26 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.749 0.819 . . . . 0.0 112.078 -177.381 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -128.97 162.7 26.99 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.468 1.507 . . . . 0.0 112.045 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 mp0 -109.92 133.95 52.62 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.682 1.193 . . . . 0.0 111.144 -179.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.19 110.09 34.73 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.674 1.19 . . . . 0.0 109.892 178.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.91 120.12 4.96 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.53 2.82 . . . . 0.0 111.739 172.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -103.0 141.93 34.97 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.262 1.825 . . . . 0.0 111.554 174.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.56 158.68 25.69 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.403 -0.811 . . . . 0.0 111.241 175.33 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.65 -19.95 52.78 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.844 1.258 . . . . 0.0 113.758 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.98 -13.4 61.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.817 1.247 . . . . 0.0 113.353 172.281 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.83 161.79 20.9 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.717 2.007 . . . . 0.0 112.824 -178.302 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -131.13 143.14 50.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.16 1.384 . . . . 0.0 111.334 173.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.44 110.17 2.67 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 128.142 2.577 . . . . 0.0 111.488 -172.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -69.59 152.75 70.22 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.354 2.703 . . . . 0.0 111.024 168.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.08 -29.86 15.66 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.802 1.191 . . . . 0.0 115.193 177.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 p -142.12 159.79 41.53 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.255 1.028 . . . . 0.0 112.886 174.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -157.93 148.03 20.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.227 1.411 . . . . 0.0 112.514 -179.085 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 125.16 25.87 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.856 -1.153 . . . . 0.0 111.808 -179.694 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.97 165.73 13.06 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.7 1.2 . . . . 0.0 112.787 -177.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -64.28 -20.31 65.98 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -176.042 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -67.17 -17.16 64.72 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.806 1.242 . . . . 0.0 113.123 173.254 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 14.48 59.13 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.194 1.378 . . . . 0.0 113.581 -174.493 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 49.7 tpp -115.07 147.54 40.04 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.737 1.615 . . . . 0.0 111.325 178.047 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.47 110.01 3.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.997 0.919 . . . . 0.0 110.431 174.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 148.67 21.14 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.487 1.041 . . . . 0.0 112.94 177.037 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.9 m -108.29 138.53 44.42 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.032 0.933 . . . . 0.0 111.758 174.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 120.97 10.68 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.666 1.586 . . . . 0.0 111.927 -172.439 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.457 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -133.3 156.03 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.606 1.962 . . . . 0.0 111.743 174.343 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -95.67 95.88 8.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.471 -0.768 . . . . 0.0 109.628 167.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.74 -20.19 62.06 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 115.071 0.788 . . . . 0.0 115.071 -175.289 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -150.08 149.39 30.24 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.517 2.327 . . . . 0.0 108.252 172.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.75 148.23 92.34 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.427 1.091 . . . . 0.0 110.972 174.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -80.34 43.37 1.51 Allowed 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 124.686 3.591 . . . . 0.0 112.679 -177.373 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 37.63 64.21 3.12 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 127.889 2.475 . . . . 0.0 114.368 -171.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.31 142.47 97.58 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.258 2.639 . . . . 0.0 114.168 -175.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -136.62 28.55 2.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 114.087 -175.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 53.43 52.95 12.43 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.604 1.961 . . . . 0.0 112.98 -178.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.76 158.89 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.913 1.285 . . . . 0.0 112.666 178.468 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -63.55 136.17 96.59 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.335 1.054 . . . . 0.0 110.905 175.44 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -60.72 152.44 69.42 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 122.967 2.445 . . . . 0.0 113.761 177.362 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -70.32 160.78 48.38 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 123.633 2.889 . . . . 0.0 112.663 177.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.4 mtp-105 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 128.418 2.687 . . . . 0.0 112.02 -1.736 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 p . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.473 0.178 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 66.7 mtt -68.64 -30.68 69.45 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.708 2.403 . . . . 0.0 112.854 -1.781 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.82 144.45 25.95 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.381 1.072 . . . . 0.0 110.584 161.795 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -107.35 -8.65 16.26 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 179.426 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 52.74 27.19 5.06 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 126.692 1.997 . . . . 0.0 115.532 166.623 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 51.72 35.2 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 125.986 1.714 . . . . 0.0 112.043 -172.891 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 mt 57.17 25.78 11.36 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.931 2.092 . . . . 0.0 114.953 -179.23 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -136.96 160.06 40.02 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.672 1.589 . . . . 0.0 112.963 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.87 166.76 28.48 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.289 0.947 . . . . 0.0 113.586 178.314 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 m -58.53 123.96 18.03 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.184 0.993 . . . . 0.0 111.533 179.704 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.271 16.1 ptm180 46.48 27.91 0.68 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.322 2.249 . . . . 0.0 116.006 -174.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.3 tp -74.21 -25.26 59.58 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.289 1.036 . . . . 0.0 113.133 -178.577 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.49 -146.12 36.83 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.979 0.8 . . . . 0.0 112.615 -173.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.16 161.54 35.44 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.104 1.361 . . . . 0.0 112.284 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.257 3.0 t 52.43 58.49 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 126.131 1.772 . . . . 0.0 113.072 179.251 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 p -86.98 13.9 8.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.463 1.905 . . . . 0.0 112.808 159.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -145.68 162.69 36.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 127.769 2.428 . . . . 0.0 111.358 -165.515 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -88.94 99.61 12.55 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.028 0.931 . . . . 0.0 110.935 178.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -79.16 42.62 0.49 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.632 1.573 . . . . 0.0 112.921 -176.547 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -129.95 113.16 14.26 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.499 1.519 . . . . 0.0 112.214 -177.481 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.27 164.48 8.8 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 130.217 3.407 . . . . 0.0 112.679 -6.106 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -59.99 144.84 48.19 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.179 0.992 . . . . 0.0 113.003 -177.374 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -78.82 -35.23 44.43 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.916 0.886 . . . . 0.0 112.899 -179.068 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -151.2 173.07 14.86 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.362 1.465 . . . . 0.0 111.7 178.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -111.19 140.83 45.42 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.928 1.691 . . . . 0.0 111.187 173.249 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.18 161.68 28.7 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 125.556 1.542 . . . . 0.0 111.16 -179.562 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -73.42 89.65 0.94 Allowed 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.455 2.77 . . . . 0.0 110.511 171.305 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -141.01 167.07 23.06 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.583 1.553 . . . . 0.0 114.224 -172.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -137.77 106.5 5.9 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 128.045 2.538 . . . . 0.0 109.717 -177.897 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.39 109.91 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 121.035 -1.041 . . . . 0.0 108.739 172.439 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 159.8 14.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.177 0.991 . . . . 0.0 110.991 166.493 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -111.91 149.35 32.01 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.869 1.268 . . . . 0.0 110.423 171.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -139.18 142.94 37.93 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.312 1.045 . . . . 0.0 110.911 176.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.9 125.8 53.19 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.319 1.847 . . . . 0.0 111.14 -178.379 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 67.2 p -79.45 177.89 8.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.821 1.248 . . . . 0.0 111.556 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.44 -15.97 61.82 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.164 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -89.48 1.81 55.39 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.138 0.881 . . . . 0.0 112.832 170.773 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.79 7.55 87.88 Favored Glycine 0 N--CA 1.469 0.863 0 C-N-CA 125.025 1.298 . . . . 0.0 114.644 -168.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.87 120.07 18.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.737 1.268 . . . . 0.0 108.787 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -102.51 129.92 49.19 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.479 0.712 . . . . 0.0 111.511 -176.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -126.8 162.72 25.19 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.991 1.716 . . . . 0.0 111.509 179.006 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.96 138.53 46.21 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.228 1.011 . . . . 0.0 110.684 177.337 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.1 t -123.53 110.04 30.44 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 124.725 1.21 . . . . 0.0 110.203 177.615 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.88 123.55 6.89 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.483 2.789 . . . . 0.0 111.703 173.067 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -108.46 143.3 37.62 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.393 1.877 . . . . 0.0 111.181 173.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 159.27 20.31 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.915 172.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.41 -19.89 57.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.49 1.116 . . . . 0.0 113.677 178.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.95 -12.42 61.24 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.797 1.239 . . . . 0.0 113.288 172.206 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -118.62 162.54 18.22 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.837 2.055 . . . . 0.0 112.407 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -132.3 140.68 48.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.944 1.297 . . . . 0.0 111.259 173.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.1 mm -58.91 110.22 2.48 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 128.044 2.538 . . . . 0.0 111.79 -174.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.36 153.05 66.49 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.36 2.707 . . . . 0.0 111.184 168.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.05 -29.94 15.62 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.893 1.235 . . . . 0.0 115.109 175.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.2 p -142.19 159.75 41.61 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.299 1.049 . . . . 0.0 113.276 174.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -157.02 147.91 21.72 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.914 1.286 . . . . 0.0 112.642 -179.371 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.68 124.79 25.11 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.039 -1.038 . . . . 0.0 111.566 -178.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.9 m -94.24 163.5 13.42 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.741 1.216 . . . . 0.0 112.911 -177.571 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -69.1 -12.26 61.52 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -174.561 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -68.24 -17.12 64.22 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 124.199 1.0 . . . . 0.0 112.759 167.51 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.91 14.21 58.18 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 125.436 1.493 . . . . 0.0 113.743 -174.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.6 tpt -115.63 148.8 39.23 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.045 1.338 . . . . 0.0 111.631 177.563 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -62.84 110.08 1.65 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.038 0.935 . . . . 0.0 110.285 171.14 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.46 146.74 21.03 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.205 0.907 . . . . 0.0 112.1 173.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.1 m -105.16 140.2 38.68 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.753 -0.851 . . . . 0.0 111.42 172.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 tp -59.72 122.22 13.61 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.364 1.466 . . . . 0.0 112.22 -178.278 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -128.68 154.44 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 125.399 1.48 . . . . 0.0 112.331 178.43 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -134.43 133.36 40.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.315 1.446 . . . . 0.0 110.441 173.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.1 -32.35 0.11 Allowed Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.363 0.982 . . . . 0.0 113.579 174.537 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -141.32 128.96 21.49 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.64 1.976 . . . . 0.0 107.372 166.458 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -130.12 153.83 81.19 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.096 1.359 . . . . 0.0 112.044 -175.468 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.27 67.57 6.94 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 124.342 3.361 . . . . 0.0 112.109 -179.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 42.07 59.82 9.62 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 128.895 2.878 . . . . 0.0 115.922 178.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -90.85 59.66 1.3 Allowed 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.455 2.103 . . . . 0.0 110.149 169.546 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -169.84 161.93 9.24 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.038 2.135 . . . . 0.0 110.65 -176.561 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -64.44 176.51 1.07 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.309 1.044 . . . . 0.0 112.082 160.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.57 60.29 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.751 1.62 . . . . 0.0 113.408 -179.076 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -138.32 142.58 35.59 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 127.317 2.247 . . . . 0.0 109.614 -177.186 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -49.81 139.11 32.94 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.4 2.734 . . . . 0.0 114.259 -175.676 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -82.21 7.06 44.89 Favored 'Cis proline' 0 CA--C 1.546 1.075 0 N-CA-C 115.149 1.173 . . . . 0.0 115.149 8.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? . . . . . 0 C--O 1.252 1.184 0 C-N-CA 125.952 1.701 . . . . 0.0 112.334 176.922 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.7 mtt -127.52 -43.42 1.59 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.958 1.303 . . . . 0.0 113.762 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.42 -5.57 2.29 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 -170.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -78.51 -25.15 45.53 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 116.343 -3.973 . . . . 0.0 114.267 7.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -137.89 154.55 49.44 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.049 1.34 . . . . 0.0 113.8 -173.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t 52.48 23.5 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 C-N-CA 127.272 2.229 . . . . 0.0 114.206 175.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.7 mt 56.5 6.72 0.3 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 127.078 2.151 . . . . 0.0 115.61 -168.36 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -141.38 39.88 1.74 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 127.042 2.137 . . . . 0.0 111.861 -170.234 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.32 0.4 85.49 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.906 1.241 . . . . 0.0 115.471 -178.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -68.56 154.65 41.48 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.556 1.142 . . . . 0.0 113.387 -177.041 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.63 -15.85 61.25 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.782 171.092 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.63 141.85 54.14 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.26 1.424 . . . . 0.0 112.037 176.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.98 42.12 1.11 Allowed Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.822 1.677 . . . . 0.0 115.286 179.292 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.28 52.53 1.13 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.287 1.835 . . . . 0.0 112.842 -177.329 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.07 155.13 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.445 1.498 . . . . 0.0 112.602 -177.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -138.9 31.51 2.22 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.718 1.207 . . . . 0.0 112.909 -176.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -156.26 168.18 28.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.386 1.874 . . . . 0.0 111.175 -171.303 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.92 103.85 2.35 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.934 0.894 . . . . 0.0 111.388 -179.774 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -155.14 168.35 27.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.801 1.641 . . . . 0.0 111.248 178.219 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -144.22 153.59 42.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.165 1.386 . . . . 0.0 111.596 175.639 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -137.5 -19.59 1.22 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.418 1.487 . . . . 0.0 114.837 -168.08 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -134.01 145.34 49.37 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.37 1.068 . . . . 0.0 112.322 -173.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.3 m170 55.15 -169.95 0.07 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.46 1.504 . . . . 0.0 112.916 -165.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.66 156.76 36.13 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.029 -1.044 . . . . 0.0 112.274 169.505 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mp -76.22 102.35 5.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.671 0.788 . . . . 0.0 110.962 -173.34 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -152.2 153.13 30.68 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.381 1.472 . . . . 0.0 111.78 178.251 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -69.51 128.09 15.75 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.32 2.68 . . . . 0.0 111.667 177.619 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -141.02 164.97 28.84 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.125 1.77 . . . . 0.0 113.76 177.649 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.49 101.95 6.17 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 127.446 2.298 . . . . 0.0 109.736 -172.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.76 107.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.327 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.9 161.96 13.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.321 1.048 . . . . 0.0 109.978 167.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -116.97 155.77 28.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.875 0.87 . . . . 0.0 110.172 168.108 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -141.13 139.29 33.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.106 0.962 . . . . 0.0 111.779 176.282 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -104.39 124.0 48.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.873 1.669 . . . . 0.0 111.753 179.446 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -77.36 177.79 7.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.29 1.436 . . . . 0.0 111.783 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.74 -16.23 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -177.683 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -88.82 1.5 55.17 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 119.082 0.856 . . . . 0.0 112.687 171.303 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.58 7.29 87.66 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.126 1.346 . . . . 0.0 114.723 -168.661 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.91 119.18 18.73 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.814 1.307 . . . . 0.0 108.627 -179.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -102.56 130.89 49.55 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.555 0.742 . . . . 0.0 112.002 -177.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -130.0 163.29 26.8 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.568 1.547 . . . . 0.0 112.087 179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -109.97 134.3 52.25 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.441 1.496 . . . . 0.0 110.108 -175.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.1 t -123.62 110.08 30.23 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 124.383 1.073 . . . . 0.0 109.798 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.32 124.67 6.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.647 2.898 . . . . 0.0 111.757 173.425 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -111.02 140.31 45.65 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.163 1.785 . . . . 0.0 111.96 176.247 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.32 160.94 25.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.854 0.862 . . . . 0.0 111.547 175.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -59.91 -19.83 53.89 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.756 1.222 . . . . 0.0 113.747 178.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.03 -12.58 61.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.922 1.289 . . . . 0.0 113.211 173.003 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.53 159.86 29.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.487 1.915 . . . . 0.0 112.688 -179.188 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -132.0 136.97 47.67 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.143 1.377 . . . . 0.0 110.747 176.139 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.3 mm -55.35 110.02 1.97 Allowed Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 127.502 2.321 . . . . 0.0 111.626 -171.348 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.3 149.28 56.87 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 123.213 2.608 . . . . 0.0 110.765 170.627 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -49.62 -29.94 12.86 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.615 1.579 . . . . 0.0 115.364 -179.359 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.9 p -139.99 159.74 41.49 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.216 1.008 . . . . 0.0 112.288 170.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -156.92 148.06 22.0 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.538 1.535 . . . . 0.0 112.097 -178.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.71 123.98 22.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.913 -1.117 . . . . 0.0 111.73 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.0 m -90.07 166.46 13.41 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.64 1.176 . . . . 0.0 112.849 -178.266 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -67.93 -17.17 64.38 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.237 1.015 . . . . 0.0 113.707 -175.297 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -69.05 -17.1 63.85 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.091 1.356 . . . . 0.0 113.33 169.868 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.95 16.37 56.27 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.125 1.345 . . . . 0.0 113.89 -175.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.5 tpt -116.51 149.14 40.05 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.141 1.377 . . . . 0.0 111.369 176.515 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.84 110.01 3.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.604 0.762 . . . . 0.0 110.549 174.211 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.9 150.36 22.97 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 124.69 1.138 . . . . 0.0 112.921 176.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.2 m -108.71 137.81 46.04 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.837 0.855 . . . . 0.0 112.074 174.751 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 121.65 12.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.333 1.853 . . . . 0.0 112.041 -169.708 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.87 156.06 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.443 1.897 . . . . 0.0 110.236 167.1 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.01 129.07 38.8 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.161 -0.962 . . . . 0.0 113.16 -178.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.31 -70.18 0.21 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.204 1.383 . . . . 0.0 112.977 167.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -144.21 33.61 1.21 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.818 1.247 . . . . 0.0 112.463 -169.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.49 130.65 94.15 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.725 1.21 . . . . 0.0 111.445 -175.734 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -80.54 41.25 1.1 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 124.166 3.244 . . . . 0.0 111.595 171.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 39.39 59.91 6.11 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 127.877 2.471 . . . . 0.0 114.348 -170.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.21 157.08 50.73 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.165 2.577 . . . . 0.0 112.38 179.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.8 130.74 44.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.21 1.004 . . . . 0.0 110.993 175.267 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -146.74 39.83 1.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.459 1.104 . . . . 0.0 113.265 174.654 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.13 155.64 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 127.464 2.306 . . . . 0.0 109.613 175.617 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.4 mttt 49.89 73.19 1.03 Allowed Pre-proline 0 N--CA 1.482 1.142 0 C-N-CA 125.616 1.566 . . . . 0.0 114.354 173.138 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -75.66 156.64 99.12 Favored 'Cis proline' 0 CA--C 1.544 1.012 0 CA-C-N 119.883 0.994 . . . . 0.0 114.473 4.756 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -63.54 147.31 93.14 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.306 2.671 . . . . 0.0 112.064 174.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.157 1.783 . . . . 0.0 111.93 -169.281 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 111.413 0.153 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.3 ttp -148.86 -44.75 0.15 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.181 . . . . 0.0 113.43 179.491 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.65 20.66 2.52 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.09 1.356 . . . . 0.0 112.903 -175.429 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.53 -29.73 61.5 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.243 1.417 . . . . 0.0 113.791 -164.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 58.54 168.03 0.05 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 127.743 2.417 . . . . 0.0 115.119 179.852 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.3 15.9 m 50.01 26.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 128.061 2.544 . . . . 0.0 116.245 179.443 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.39 139.98 54.17 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.476 1.11 . . . . 0.0 111.734 -178.226 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -151.48 159.37 44.2 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.494 1.518 . . . . 0.0 112.589 -175.864 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.79 44.0 2.24 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 125.548 1.546 . . . . 0.0 114.357 176.299 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t -150.81 177.18 10.36 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.828 1.651 . . . . 0.0 111.744 -176.251 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -75.49 74.44 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.16 1.784 . . . . 0.0 111.563 -178.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.89 149.2 47.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.209 1.804 . . . . 0.0 112.329 -179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.89 -158.75 39.08 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.657 1.122 . . . . 0.0 113.781 -178.653 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 149.62 48.43 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.926 0.89 . . . . 0.0 112.548 178.347 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.75 155.31 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.24 1.416 . . . . 0.0 113.027 -174.442 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.6 t -147.55 142.29 26.73 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.869 1.668 . . . . 0.0 109.909 170.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -153.5 -39.99 0.1 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -172.669 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.29 -43.42 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.271 2.228 . . . . 0.0 110.981 174.302 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m 54.07 86.78 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.204 2.602 . . . . 0.0 114.213 156.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.14 149.89 49.03 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -178.46 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -123.31 3.48 9.16 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 130.227 3.411 . . . . 0.0 115.831 8.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -144.54 -49.24 0.27 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 179.182 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -134.14 157.77 45.35 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 131.552 3.941 . . . . 0.0 111.104 -1.59 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.47 149.27 26.75 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.124 0.97 . . . . 0.0 112.754 174.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.6 mt -97.77 70.01 2.16 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.32 1.048 . . . . 0.0 111.771 -171.731 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.24 134.74 10.03 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.727 1.611 . . . . 0.0 111.418 177.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -71.1 72.72 2.09 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.127 3.218 . . . . 0.0 112.969 172.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -141.08 166.32 25.1 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.213 1.561 . . . . 0.0 115.213 -177.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.44 102.53 4.98 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.511 2.724 . . . . 0.0 109.398 -174.043 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.37 108.44 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 173.464 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.94 160.02 14.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.645 1.178 . . . . 0.0 110.784 167.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -111.02 150.85 28.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.593 1.157 . . . . 0.0 110.698 170.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -139.51 142.64 37.26 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.443 1.097 . . . . 0.0 111.252 174.647 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -110.11 126.84 54.47 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.209 1.804 . . . . 0.0 111.047 -177.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.9 p -79.32 176.79 9.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 111.495 -179.71 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -78.42 -11.61 59.96 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.47 -0.768 . . . . 0.0 112.468 -178.512 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -97.78 11.94 35.54 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.354 1.862 . . . . 0.0 111.631 175.897 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.38 1.17 89.96 Favored Glycine 0 N--CA 1.474 1.182 0 C-N-CA 126.388 1.947 . . . . 0.0 115.051 -178.159 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -84.81 120.1 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 117.584 0.692 . . . . 0.0 110.141 -167.216 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -102.46 129.0 48.83 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.387 0.675 . . . . 0.0 111.496 -174.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.98 162.67 28.14 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.575 1.55 . . . . 0.0 112.248 -179.208 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -110.0 136.67 48.9 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.727 1.211 . . . . 0.0 112.081 -177.15 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.4 t -126.77 110.02 22.47 Favored Pre-proline 0 N--CA 1.473 0.701 0 C-N-CA 124.673 1.189 . . . . 0.0 110.669 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -73.9 126.22 10.5 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.933 3.089 . . . . 0.0 111.887 169.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.18 142.9 41.08 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.588 1.955 . . . . 0.0 111.315 171.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.56 158.01 22.11 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.414 -0.803 . . . . 0.0 111.375 175.576 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.01 -19.93 55.11 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.125 1.37 . . . . 0.0 113.825 -176.509 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.82 -12.28 60.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 173.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.84 160.5 16.7 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.91 2.084 . . . . 0.0 112.224 175.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.84 141.61 49.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.726 1.21 . . . . 0.0 111.104 172.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.89 110.12 2.19 Favored Pre-proline 0 N--CA 1.47 0.553 0 C-N-CA 127.889 2.475 . . . . 0.0 111.28 -173.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.59 150.14 56.58 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.318 2.679 . . . . 0.0 110.499 169.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.02 -29.92 15.43 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.378 1.466 . . . . 0.0 115.229 -179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 78.2 p -139.96 159.6 41.81 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.196 0.998 . . . . 0.0 112.544 171.9 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 48.6 t-105 -157.13 148.04 21.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.393 1.477 . . . . 0.0 112.272 -179.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.39 125.33 26.1 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.869 -1.145 . . . . 0.0 111.815 -178.834 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.9 m -94.34 165.89 12.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.608 1.163 . . . . 0.0 113.013 -178.096 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -66.23 -18.89 65.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -175.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -68.69 -17.13 64.02 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.614 0.766 . . . . 0.0 112.825 171.701 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.24 13.99 57.99 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.478 1.513 . . . . 0.0 114.092 -176.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 tpp -110.86 144.77 39.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.374 1.869 . . . . 0.0 110.304 175.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -61.8 110.07 1.42 Allowed 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.872 0.844 . . . . 0.0 110.965 169.111 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.05 148.75 23.48 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 124.656 1.122 . . . . 0.0 112.332 175.164 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.4 m -106.08 139.06 41.19 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 111.382 173.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.02 121.68 12.43 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.602 1.561 . . . . 0.0 111.062 -174.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.449 ' H ' HD13 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -130.23 156.0 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.745 1.618 . . . . 0.0 112.025 175.897 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -86.44 152.81 22.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.744 0.818 . . . . 0.0 111.241 167.263 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -10.82 60.27 Favored Glycine 0 CA--C 1.541 1.701 0 N-CA-C 115.776 1.07 . . . . 0.0 115.776 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 54.63 46.48 24.67 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.102 1.761 . . . . 0.0 114.407 174.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.25 149.35 97.94 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.225 1.01 . . . . 0.0 111.173 175.316 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -79.61 44.5 1.72 Allowed 'Trans proline' 0 CA--C 1.548 1.223 0 C-N-CA 124.785 3.657 . . . . 0.0 112.644 -178.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 35.07 60.0 2.44 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 128.15 2.58 . . . . 0.0 114.684 -172.331 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.68 144.81 55.66 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.231 2.621 . . . . 0.0 112.572 -176.492 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -86.43 -13.77 45.25 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -179.519 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -66.01 131.51 46.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.864 1.266 . . . . 0.0 111.804 -174.488 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.95 142.74 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.166 1.387 . . . . 0.0 112.465 173.659 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -131.73 59.97 48.65 Favored Pre-proline 0 N--CA 1.484 1.272 1 C-N-CA 132.059 4.144 . . . . 0.0 111.229 11.55 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.06 154.06 32.76 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.367 2.711 . . . . 0.0 113.313 -169.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -84.63 -18.0 4.87 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.903 3.069 . . . . 0.0 114.577 178.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 . . . . . 0 C--O 1.25 1.109 0 C-N-CA 125.812 1.645 . . . . 0.0 112.142 -176.731 . . . . . . . . 0 0 . 1 stop_ save_