data_2rmm_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 2rmm _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 ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.03 134.54 44.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 111.187 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.84 159.85 30.11 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.05 1.74 . . . . 0.0 111.438 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -134.88 152.78 52.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.704 1.202 . . . . 0.0 113.085 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -130.81 129.72 42.74 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.382 2.273 . . . . 0.0 110.087 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -110.68 128.15 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.467 1.507 . . . . 0.0 108.609 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.59 119.2 36.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.202 1.401 . . . . 0.0 110.995 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.04 115.19 23.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.879 1.671 . . . . 0.0 110.655 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 177.25 32.53 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.667 1.127 . . . . 0.0 114.618 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.14 -38.5 8.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.273 1.429 . . . . 0.0 111.564 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 m -77.42 -33.57 54.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.367 1.467 . . . . 0.0 112.487 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -151.86 151.77 31.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 111.863 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -136.44 157.09 47.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.233 1.813 . . . . 0.0 109.803 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.39 -173.89 45.87 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.84 136.53 24.28 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.575 1.95 . . . . 0.0 111.482 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -139.0 161.6 36.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.177 0.991 . . . . 0.0 113.66 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 141.52 27.17 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.09 1.356 . . . . 0.0 111.328 -172.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.88 166.05 27.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.118 1.767 . . . . 0.0 110.634 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -120.76 126.29 49.76 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.242 1.417 . . . . 0.0 110.867 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.23 167.88 20.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.112 1.765 . . . . 0.0 111.292 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.07 -39.73 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.98 172.39 16.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.3 1.44 . . . . 0.0 112.439 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.22 -31.94 61.87 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.957 1.303 . . . . 0.0 114.069 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -32.41 49.4 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.114 1.325 . . . . 0.0 111.543 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.7 m -68.99 -45.07 71.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.511 -1.368 . . . . 0.0 111.796 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.71 83.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.434 -1.416 . . . . 0.0 113.6 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.52 -42.03 99.25 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.314 0.646 . . . . 0.0 111.06 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.96 -45.77 87.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.643 -0.661 . . . . 0.0 112.215 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.7 -52.82 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 O-C-N 120.947 -1.095 . . . . 0.0 111.314 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -60.47 -35.94 77.09 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -67.67 -26.25 66.1 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 172.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -40.71 96.07 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.125 1.33 . . . . 0.0 112.654 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -83.67 -34.91 24.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.596 1.158 . . . . 0.0 113.395 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -121.43 53.99 1.14 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -116.77 -42.5 2.96 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -145.15 13.53 1.44 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -56.25 -37.28 69.56 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.243 1.02 . . . . 0.0 111.519 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -24.73 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 127.907 2.67 . . . . 0.0 114.801 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.94 -54.51 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.489 1.144 . . . . 0.0 113.806 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 35.42 42.83 0.12 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 126.573 1.949 . . . . 0.0 114.309 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.86 175.13 35.09 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.88 119.04 23.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.096 1.758 . . . . 0.0 112.307 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -81.21 144.63 31.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.291 1.036 . . . . 0.0 113.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 m -138.89 154.68 48.4 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.709 2.404 . . . . 0.0 109.36 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -144.35 138.31 27.74 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.819 1.191 . . . . 0.0 113.154 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.1 104.77 11.17 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.134 2.174 . . . . 0.0 110.91 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.09 -34.8 78.37 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.538 1.535 . . . . 0.0 114.25 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.74 55.92 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -128.96 12.81 6.23 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.765 2.026 . . . . 0.0 113.595 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 43.12 45.24 4.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.938 1.695 . . . . 0.0 114.647 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 m -127.94 137.26 52.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -107.46 145.77 32.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.099 2.96 . . . . 0.0 109.711 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -135.26 122.53 21.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.017 0.927 . . . . 0.0 111.265 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -115.61 124.61 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.691 1.596 . . . . 0.0 110.634 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.9 m -135.06 115.83 13.91 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -169.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 124.776 1.231 . . . . 0.0 111.344 169.556 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ttp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.71 132.77 43.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.567 0.747 . . . . 0.0 111.858 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.7 159.72 30.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.007 1.723 . . . . 0.0 111.657 170.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.52 155.27 50.76 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.655 1.182 . . . . 0.0 112.688 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -133.32 135.26 44.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.502 2.321 . . . . 0.0 110.03 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -119.43 129.87 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.701 1.6 . . . . 0.0 108.846 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 tp -112.61 119.69 39.01 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.221 1.808 . . . . 0.0 110.562 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.64 131.55 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.668 1.187 . . . . 0.0 109.725 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.57 -173.41 43.91 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 115.335 0.894 . . . . 0.0 115.335 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -111.98 -12.62 13.71 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.869 1.668 . . . . 0.0 113.58 -173.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 45.6 m -113.56 -26.72 8.15 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.631 1.573 . . . . 0.0 112.336 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.44 144.48 24.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 111.374 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -131.57 151.61 51.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.022 1.329 . . . . 0.0 109.63 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.57 -173.48 44.42 Favored Glycine 0 N--CA 1.471 0.985 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -147.57 137.19 22.69 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.805 2.042 . . . . 0.0 110.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.0 p -139.32 165.76 26.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.321 1.048 . . . . 0.0 113.03 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.33 145.5 30.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.998 1.319 . . . . 0.0 111.181 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -143.87 166.14 25.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.949 1.7 . . . . 0.0 111.276 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.48 112.84 16.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.326 1.45 . . . . 0.0 109.995 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.7 166.28 21.08 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.311 1.444 . . . . 0.0 111.936 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.402 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 3.9 p -71.26 -38.08 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.55 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -155.24 168.62 26.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.352 1.461 . . . . 0.0 109.495 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -28.22 36.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.899 1.679 . . . . 0.0 112.693 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.26 62.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.746 1.218 . . . . 0.0 111.892 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.402 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 43.9 m -70.93 -42.77 69.42 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.894 -1.129 . . . . 0.0 111.988 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.81 88.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.832 -1.168 . . . . 0.0 113.561 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.25 -39.17 93.85 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 170.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -66.86 -43.8 82.64 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.68 -52.18 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.288 -1.507 . . . . 0.0 111.27 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.07 -35.82 77.97 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.53 -20.42 60.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -72.8 -43.25 63.0 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.546 -1.346 . . . . 0.0 112.274 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.85 -40.82 62.99 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.19 -0.943 . . . . 0.0 112.625 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -110.56 33.54 4.47 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.727 1.611 . . . . 0.0 114.204 -171.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -55.62 -42.91 75.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -155.24 -71.24 0.12 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.5 1.52 . . . . 0.0 111.239 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 48.38 28.62 1.71 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 126.306 1.842 . . . . 0.0 114.846 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.32 2.43 7.13 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.843 2.64 . . . . 0.0 115.672 -171.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.3 -53.34 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.866 1.333 . . . . 0.0 109.851 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.99 42.56 0.46 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.141 2.176 . . . . 0.0 114.23 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.75 54.72 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.589 1.09 . . . . 0.0 114.572 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.58 137.58 46.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.786 1.235 . . . . 0.0 110.743 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -101.78 141.59 34.39 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.713 1.205 . . . . 0.0 112.033 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -138.77 152.77 48.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.87 2.068 . . . . 0.0 109.489 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -143.4 137.17 28.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.964 1.257 . . . . 0.0 111.844 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -117.98 111.77 19.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.781 2.032 . . . . 0.0 109.676 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.57 -34.14 62.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.499 0.72 . . . . 0.0 112.818 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.81 -12.05 6.59 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.769 1.628 . . . . 0.0 114.879 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -129.34 12.63 6.02 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.788 1.635 . . . . 0.0 114.218 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 40.07 41.3 0.9 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.536 1.934 . . . . 0.0 114.954 -174.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.4 m -126.02 136.88 53.48 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.714 -0.617 . . . . 0.0 112.414 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -104.25 145.59 30.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.558 2.343 . . . . 0.0 109.195 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.2 m -131.43 134.44 46.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.968 0.907 . . . . 0.0 109.943 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 t -123.44 127.09 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.403 1.481 . . . . 0.0 109.251 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.78 136.35 42.51 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.85 0.86 . . . . 0.0 112.648 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 124.281 1.032 . . . . 0.0 111.899 170.023 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.03 133.12 44.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.213 1.005 . . . . 0.0 111.412 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 159.26 31.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.216 1.806 . . . . 0.0 111.774 170.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -135.25 155.21 51.03 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.506 1.123 . . . . 0.0 113.106 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -133.37 125.26 28.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.892 2.477 . . . . 0.0 110.783 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.73 124.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.205 1.402 . . . . 0.0 109.346 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -113.66 115.94 28.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.302 1.441 . . . . 0.0 110.968 -171.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.2 112.89 19.65 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.13 1.772 . . . . 0.0 111.587 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 169.52 33.57 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.759 1.171 . . . . 0.0 114.438 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -79.32 -36.67 39.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.498 1.119 . . . . 0.0 113.283 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -88.85 -26.86 21.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.12 1.368 . . . . 0.0 113.916 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.86 147.28 26.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.206 1.402 . . . . 0.0 111.784 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -136.19 158.91 43.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.933 1.693 . . . . 0.0 109.994 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.87 -174.63 46.79 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -144.65 129.23 18.08 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.723 2.009 . . . . 0.0 111.481 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 p -134.85 159.3 41.83 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.73 141.13 29.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 111.064 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -142.98 166.05 25.7 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.036 1.735 . . . . 0.0 110.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -121.19 121.63 38.22 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.064 1.746 . . . . 0.0 109.84 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.7 27.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.384 1.474 . . . . 0.0 111.262 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.1 -40.94 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.764 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -150.08 167.61 26.28 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.803 1.241 . . . . 0.0 112.939 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.21 -28.73 28.35 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.163 1.785 . . . . 0.0 112.657 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.95 -41.91 61.32 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.823 1.649 . . . . 0.0 111.662 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -68.54 -46.32 69.81 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.56 -1.338 . . . . 0.0 112.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.22 90.14 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.96 -1.087 . . . . 0.0 113.376 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.7 -31.2 67.98 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.086 -0.959 . . . . 0.0 112.517 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.67 -48.47 79.15 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.189 1.359 . . . . 0.0 110.984 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.66 -51.38 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.346 -0.846 . . . . 0.0 111.264 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.02 -39.47 89.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.41 -20.43 63.8 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.8 -41.26 68.49 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.972 -1.705 . . . . 0.0 112.605 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -81.17 -25.01 37.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -133.6 117.52 17.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.971 1.308 . . . . 0.0 112.238 -175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -161.86 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.852 0.861 . . . . 0.0 112.877 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.86 10.8 2.01 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.597 1.959 . . . . 0.0 114.04 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -57.46 -35.91 70.77 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.23 1.012 . . . . 0.0 111.44 169.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.97 -36.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 117.724 1.85 . . . . 0.0 117.724 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.86 -47.5 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.922 1.361 . . . . 0.0 113.463 -172.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.12 44.21 0.39 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.417 1.887 . . . . 0.0 114.437 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.88 176.35 24.78 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.14 1.352 . . . . 0.0 116.25 -169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -79.28 133.93 36.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.564 1.945 . . . . 0.0 111.768 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -95.28 144.96 25.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.4 1.48 . . . . 0.0 113.465 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 m -138.95 155.85 47.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.902 1.681 . . . . 0.0 110.04 171.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -143.61 139.87 29.87 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.675 1.19 . . . . 0.0 112.493 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -118.07 106.49 12.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.652 1.981 . . . . 0.0 110.739 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.29 -31.62 72.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.99 1.716 . . . . 0.0 113.205 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.72 -27.06 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.263 1.425 . . . . 0.0 113.286 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -128.75 8.86 5.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.679 1.592 . . . . 0.0 112.737 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 39.74 42.12 0.93 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.536 1.934 . . . . 0.0 114.018 -172.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -129.1 134.58 48.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.994 0.902 . . . . 0.0 112.658 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.15 145.81 28.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.323 2.649 . . . . 0.0 109.904 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -125.4 144.59 50.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.099 0.959 . . . . 0.0 110.092 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 122.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 108.903 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 m -134.71 139.67 45.38 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 124.297 1.039 . . . . 0.0 111.373 169.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.6 tpp . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.79 130.5 35.8 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.018 0.927 . . . . 0.0 111.309 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -124.69 161.8 25.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.109 1.764 . . . . 0.0 111.777 172.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.5 155.28 50.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.936 1.294 . . . . 0.0 112.906 -171.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -134.67 125.2 26.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.366 2.266 . . . . 0.0 110.757 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.8 mt -105.87 128.57 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 109.162 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -110.71 119.77 40.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.188 1.795 . . . . 0.0 110.519 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -119.25 131.73 55.83 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.904 0.882 . . . . 0.0 109.118 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.18 -177.06 48.33 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.233 0.92 . . . . 0.0 114.439 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.8 -29.8 9.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.949 1.3 . . . . 0.0 112.767 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.6 p -76.75 -44.28 33.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.561 1.144 . . . . 0.0 111.128 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.45 146.02 30.43 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.496 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.47 151.97 50.37 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.099 1.36 . . . . 0.0 109.747 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.84 43.58 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -146.3 133.9 20.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.932 2.093 . . . . 0.0 111.156 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -135.21 165.73 24.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 0.0 112.948 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -145.63 145.7 31.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 110.425 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.93 165.36 27.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.958 1.703 . . . . 0.0 111.11 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -122.65 119.73 31.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.686 1.595 . . . . 0.0 108.283 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.29 154.95 50.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.781 1.632 . . . . 0.0 112.328 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.37 -35.2 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 122.962 0.505 . . . . 0.0 111.962 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -155.92 172.5 18.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.941 1.696 . . . . 0.0 110.626 172.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.49 49.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.937 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.87 78.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.301 1.841 . . . . 0.0 112.586 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -77.97 -37.05 48.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.638 -0.664 . . . . 0.0 111.448 172.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.8 99.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.421 -1.425 . . . . 0.0 113.645 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.54 -32.89 73.99 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 118.834 -0.603 . . . . 0.0 112.529 170.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.87 -47.55 84.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.827 0.739 . . . . 0.0 112.012 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.11 -52.02 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.136 -0.978 . . . . 0.0 111.645 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.43 -35.44 79.26 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.9 -32.24 70.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.394 -0.816 . . . . 0.0 112.294 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -33.94 73.59 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.79 -1.194 . . . . 0.0 112.685 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -88.02 -29.24 20.86 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.27 7.99 3.96 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 -169.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -68.41 -28.87 67.47 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 122.337 2.335 . . . . 0.0 116.59 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.01 28.2 0.31 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.67 -36.35 78.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.232 1.015 . . . . 0.0 110.897 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.83 -21.61 0.11 Allowed Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.294 1.677 . . . . 0.0 117.294 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.81 -34.43 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 36.48 37.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.078 2.151 . . . . 0.0 114.495 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.86 174.95 50.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.278 1.418 . . . . 0.0 116.287 -169.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.13 135.61 47.74 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.708 1.603 . . . . 0.0 111.281 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -104.07 140.27 38.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.086 1.354 . . . . 0.0 111.481 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -138.89 157.37 46.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.915 2.086 . . . . 0.0 109.71 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -143.66 137.89 28.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.791 1.236 . . . . 0.0 112.44 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.11 109.11 16.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.132 2.173 . . . . 0.0 110.095 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.76 -35.57 70.12 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.36 12.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.199 1.799 . . . . 0.0 115.308 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -129.28 12.1 5.98 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.748 1.619 . . . . 0.0 114.854 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 45.93 32.24 1.28 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.893 1.677 . . . . 0.0 113.721 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 88.7 m -119.13 134.66 55.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.18 -0.95 . . . . 0.0 113.127 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.84 145.7 28.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.048 2.539 . . . . 0.0 110.031 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -126.95 138.37 53.27 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.818 0.847 . . . . 0.0 110.838 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.96 130.08 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.507 1.923 . . . . 0.0 109.384 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 94.4 m -134.66 121.33 20.69 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.683 0.793 . . . . 0.0 111.401 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 126.136 1.774 . . . . 0.0 112.477 177.45 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -72.91 134.38 44.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.996 0.918 . . . . 0.0 111.477 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -124.86 157.61 35.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.369 1.867 . . . . 0.0 111.545 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -132.8 155.25 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.603 1.161 . . . . 0.0 112.533 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.51 133.4 45.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.975 2.51 . . . . 0.0 110.17 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.61 123.88 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.686 1.594 . . . . 0.0 109.327 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.84 117.99 35.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.246 1.418 . . . . 0.0 110.529 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.24 110.97 17.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.917 1.687 . . . . 0.0 110.767 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.0 172.71 31.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.18 0.895 . . . . 0.0 114.897 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -77.64 -33.7 53.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.874 1.27 . . . . 0.0 112.99 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 p -83.83 -29.66 27.12 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.827 1.651 . . . . 0.0 114.068 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -151.87 149.36 28.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 112.472 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -140.75 138.97 34.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.816 1.246 . . . . 0.0 109.521 169.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.02 -170.59 43.74 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.271 1.269 . . . . 0.0 116.271 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -145.74 145.3 30.8 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.671 1.589 . . . . 0.0 113.244 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 p -136.58 161.95 34.48 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 142.67 31.87 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.151 1.38 . . . . 0.0 110.811 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -145.99 166.16 26.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.708 1.603 . . . . 0.0 110.587 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.84 127.77 52.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 110.565 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.22 166.0 24.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.112 1.765 . . . . 0.0 111.18 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -40.43 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.174 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.29 170.02 22.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.167 1.387 . . . . 0.0 110.498 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.67 17.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.006 1.723 . . . . 0.0 113.207 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.9 61.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.241 1.416 . . . . 0.0 111.372 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.2 m -70.47 -43.18 70.34 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.834 -1.166 . . . . 0.0 112.224 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.87 88.58 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.636 -1.29 . . . . 0.0 113.739 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.38 -31.18 67.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.643 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.36 -46.44 86.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.809 1.186 . . . . 0.0 111.194 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.44 -53.12 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 O-C-N 121.225 -0.922 . . . . 0.0 111.01 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -60.11 -38.23 82.36 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.46 -25.29 65.82 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.548 -0.72 . . . . 0.0 112.575 173.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.9 -39.7 87.52 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 119.601 -1.937 . . . . 0.0 112.43 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.55 -26.75 45.74 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -132.28 30.4 4.2 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -62.02 -56.42 19.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -158.05 25.67 0.26 Allowed 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -170.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -55.92 -42.5 76.2 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 122.288 1.042 . . . . 0.0 112.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.57 -31.76 0.07 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.301 1.68 . . . . 0.0 117.301 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.1 -44.1 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 117.998 0.899 . . . . 0.0 112.347 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.56 40.76 0.25 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.865 2.066 . . . . 0.0 114.27 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 169.8 52.33 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.499 0.959 . . . . 0.0 115.499 -169.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.89 121.68 18.55 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 110.279 169.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -82.23 142.27 32.29 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.904 0.882 . . . . 0.0 111.826 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.3 m -139.21 157.88 45.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.378 1.871 . . . . 0.0 109.987 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -143.09 141.32 31.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.867 1.267 . . . . 0.0 113.16 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.97 116.59 27.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.714 2.406 . . . . 0.0 111.904 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.52 -25.67 33.2 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.74 68.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.505 0.722 . . . . 0.0 112.407 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -128.66 1.32 5.5 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.607 1.563 . . . . 0.0 113.511 -171.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt 54.81 38.91 31.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.741 1.617 . . . . 0.0 112.558 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.28 135.94 53.77 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.712 0.768 . . . . 0.0 111.991 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -106.65 145.67 31.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.965 2.506 . . . . 0.0 109.99 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -128.87 144.26 51.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.944 0.898 . . . . 0.0 110.237 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.96 121.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.293 1.837 . . . . 0.0 108.738 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -134.9 139.61 45.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.528 1.131 . . . . 0.0 113.972 -172.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 124.097 0.959 . . . . 0.0 111.198 169.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 132.99 39.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.851 0.86 . . . . 0.0 111.236 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.58 157.22 35.95 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.483 1.513 . . . . 0.0 112.015 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -135.4 153.95 51.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.643 1.177 . . . . 0.0 112.339 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.2 130.62 44.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.39 2.276 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -115.3 123.97 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.655 1.582 . . . . 0.0 108.589 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 tp -113.62 119.3 36.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.685 1.594 . . . . 0.0 109.938 -173.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -120.19 113.41 20.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.182 1.393 . . . . 0.0 109.663 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.5 173.04 34.31 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.945 0.783 . . . . 0.0 114.28 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -88.73 -39.87 13.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.705 1.202 . . . . 0.0 111.68 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.4 m -66.7 -51.35 57.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.194 1.398 . . . . 0.0 111.166 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -145.81 149.13 33.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.963 1.305 . . . . 0.0 112.111 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -130.22 156.58 44.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.198 1.799 . . . . 0.0 109.917 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.21 -178.32 48.26 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 116.912 1.525 . . . . 0.0 116.912 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -148.59 128.75 13.69 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.257 2.223 . . . . 0.0 111.247 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -137.56 163.76 30.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.124 0.97 . . . . 0.0 113.119 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.75 144.5 31.85 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 111.267 -172.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -145.36 166.29 26.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.464 1.906 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.92 131.33 56.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.52 1.128 . . . . 0.0 110.114 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.49 159.87 40.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.995 1.718 . . . . 0.0 112.169 -174.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -69.51 -37.53 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.335 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.67 168.33 27.15 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.911 1.685 . . . . 0.0 110.816 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.83 35.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.174 1.79 . . . . 0.0 112.535 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.31 65.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.855 1.262 . . . . 0.0 113.236 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -81.21 -44.68 17.45 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.215 -0.928 . . . . 0.0 111.358 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.58 99.29 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.754 -1.216 . . . . 0.0 113.361 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.45 -42.33 95.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.843 0.857 . . . . 0.0 110.911 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.94 -43.71 95.05 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.31 -48.71 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.441 -1.412 . . . . 0.0 112.058 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.21 -37.23 86.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.784 -1.198 . . . . 0.0 113.381 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.04 -20.53 60.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -72.68 -35.84 67.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 112.372 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -81.3 -36.85 29.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -115.75 30.03 7.61 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.33 -37.82 62.66 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -158.31 -59.91 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.206 1.802 . . . . 0.0 110.285 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 63.99 -72.83 0.05 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 130.012 3.325 . . . . 0.0 112.895 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.78 16.6 0.12 Allowed Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.514 1.53 . . . . 0.0 114.992 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.01 -29.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 39.39 47.38 1.51 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.696 1.598 . . . . 0.0 113.744 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 160.69 42.65 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.274 0.94 . . . . 0.0 115.157 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.57 121.06 20.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.81 1.644 . . . . 0.0 110.65 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -84.95 140.16 31.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.792 0.837 . . . . 0.0 111.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.95 154.29 48.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.303 2.241 . . . . 0.0 109.201 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -143.95 139.15 28.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.612 1.096 . . . . 0.0 112.421 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -118.04 113.14 21.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.002 2.121 . . . . 0.0 109.776 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 49' ' ' THR . 32.1 t70 -74.23 -33.72 63.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.534 -0.729 . . . . 0.0 112.836 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.69 -19.83 2.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.203 2.201 . . . . 0.0 115.191 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.4 ' H ' ' C ' ' B' ' 47' ' ' ASP . 27.2 p -129.01 6.63 5.45 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.531 1.933 . . . . 0.0 113.824 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 38.05 40.19 0.29 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.09 1.756 . . . . 0.0 114.308 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.0 m -126.08 136.9 53.47 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.704 0.764 . . . . 0.0 112.371 -169.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.16 145.58 30.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.216 2.207 . . . . 0.0 109.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 40.4 m -130.14 137.04 49.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.264 1.025 . . . . 0.0 110.212 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.35 122.13 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.914 1.686 . . . . 0.0 109.17 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 86.4 m -134.86 140.05 45.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.408 1.083 . . . . 0.0 112.387 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 118.031 -0.985 . . . . 0.0 111.624 169.751 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.0 133.6 44.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.974 0.91 . . . . 0.0 110.969 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.84 156.71 37.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.787 1.635 . . . . 0.0 111.572 171.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.64 154.65 49.88 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.664 1.185 . . . . 0.0 112.701 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.62 115.57 13.99 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.724 2.41 . . . . 0.0 110.426 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -92.64 127.28 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.913 1.285 . . . . 0.0 108.933 172.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.6 tp -107.84 119.11 38.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.069 1.348 . . . . 0.0 111.142 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.99 134.98 55.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.428 1.491 . . . . 0.0 109.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.91 177.75 47.71 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -98.31 -5.86 32.1 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -128.94 -23.72 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.77 2.028 . . . . 0.0 113.818 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 142.57 23.0 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.006 1.722 . . . . 0.0 110.322 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -139.78 148.02 41.62 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.762 1.225 . . . . 0.0 110.611 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.35 -167.05 40.22 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.549 1.379 . . . . 0.0 116.549 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -144.24 131.63 20.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.328 1.851 . . . . 0.0 111.208 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 p -134.25 159.11 41.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.315 1.046 . . . . 0.0 112.56 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -146.33 140.95 26.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.798 1.239 . . . . 0.0 111.142 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -142.36 165.54 27.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.983 1.713 . . . . 0.0 110.47 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -118.41 122.72 43.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.617 1.567 . . . . 0.0 110.193 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.24 166.26 23.84 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.469 1.508 . . . . 0.0 111.326 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 5.3 p -66.48 -42.3 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.875 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.48 167.87 25.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.208 1.403 . . . . 0.0 112.001 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.2 -30.92 29.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.145 -1.843 . . . . 0.0 112.745 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.28 61.21 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.818 1.247 . . . . 0.0 112.037 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.416 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 34.4 m -69.52 -44.79 70.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.527 -1.358 . . . . 0.0 112.079 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.02 87.47 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.757 -1.214 . . . . 0.0 113.29 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.48 -39.89 94.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.351 0.66 . . . . 0.0 110.95 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -65.52 -45.71 82.43 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.484 -0.76 . . . . 0.0 112.93 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.12 -50.9 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.818 -1.176 . . . . 0.0 111.523 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.38 -40.56 91.28 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.313 -0.867 . . . . 0.0 113.072 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.96 -21.33 64.19 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.45 -43.68 63.42 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.41 1.459 . . . . 0.0 112.776 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -70.8 -27.96 64.29 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.96 31.31 6.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.79 -60.66 2.66 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.79 22.59 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.997 1.719 . . . . 0.0 113.624 -171.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.84 -32.06 72.36 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 121.108 -0.995 . . . . 0.0 111.55 174.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.78 -21.02 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.74 -62.37 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.711 1.255 . . . . 0.0 112.072 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 39.56 41.56 0.77 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.788 1.635 . . . . 0.0 113.709 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.13 -171.31 33.79 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.635 1.588 . . . . 0.0 117.067 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -87.88 118.26 27.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.253 1.821 . . . . 0.0 112.617 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -88.95 143.55 26.79 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.028 1.331 . . . . 0.0 113.513 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -139.01 156.82 46.92 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 127.544 2.337 . . . . 0.0 110.265 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -140.86 141.11 34.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.063 1.301 . . . . 0.0 114.15 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -117.97 118.63 32.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.89 2.876 . . . . 0.0 112.369 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -82.73 -28.22 30.61 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.42 -24.87 58.16 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.959 0.904 . . . . 0.0 112.995 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 p -128.7 -6.52 5.13 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.528 1.531 . . . . 0.0 113.704 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.24 44.21 22.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.585 1.554 . . . . 0.0 110.978 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 m -116.99 138.48 51.53 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.505 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.55 145.87 37.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.283 2.633 . . . . 0.0 109.138 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -133.51 121.77 22.65 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.479 0.712 . . . . 0.0 111.383 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.61 130.59 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.584 1.554 . . . . 0.0 110.16 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -134.85 140.07 45.53 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 127.291 2.237 . . . . 0.0 110.851 169.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -73.05 133.24 44.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.794 0.838 . . . . 0.0 111.448 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.66 158.49 33.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.947 1.699 . . . . 0.0 111.903 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.68 154.01 51.26 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.81 1.244 . . . . 0.0 112.576 -173.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.27 131.63 44.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.315 2.246 . . . . 0.0 109.863 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 45.4 mt -114.86 126.1 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.839 1.656 . . . . 0.0 108.484 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -111.8 119.48 38.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.364 1.466 . . . . 0.0 109.939 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.93 124.36 45.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.073 1.349 . . . . 0.0 109.207 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.15 173.41 45.52 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -83.73 -40.96 18.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.968 1.307 . . . . 0.0 113.491 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -82.43 -30.95 29.77 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.52 146.16 25.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.088 1.355 . . . . 0.0 112.771 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -131.04 154.85 47.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.038 1.735 . . . . 0.0 109.687 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.0 -173.96 42.9 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -145.96 133.92 21.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.634 1.974 . . . . 0.0 110.683 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.6 p -138.95 165.85 26.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.321 1.048 . . . . 0.0 112.833 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 145.31 30.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.381 1.472 . . . . 0.0 111.453 -170.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 166.31 26.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.262 1.825 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.39 120.76 29.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.354 1.061 . . . . 0.0 110.76 169.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.19 168.94 17.14 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.225 1.81 . . . . 0.0 111.405 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.98 -40.34 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.546 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.07 170.09 21.97 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.299 1.44 . . . . 0.0 110.256 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.2 -27.61 22.61 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.299 1.84 . . . . 0.0 113.218 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.54 -34.61 58.53 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.773 1.229 . . . . 0.0 112.152 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.1 m -75.79 -41.47 52.8 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.83 -1.169 . . . . 0.0 111.264 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.42 86.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.774 -1.204 . . . . 0.0 113.332 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.7 -40.16 96.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.753 0.821 . . . . 0.0 111.298 170.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.9 -44.55 89.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.2 -51.48 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 O-C-N 120.27 -1.519 . . . . 0.0 111.518 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.23 -38.24 82.79 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.3 -20.47 59.09 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.74 -43.59 68.55 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.791 -1.193 . . . . 0.0 111.779 169.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -75.93 -36.73 59.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.72 32.31 6.07 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.462 1.505 . . . . 0.0 114.249 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -51.32 -42.87 61.51 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -160.42 -51.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.622 1.969 . . . . 0.0 110.99 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.85 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 129.018 2.927 . . . . 0.0 113.267 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.99 29.27 0.65 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 127.118 2.294 . . . . 0.0 112.515 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.2 -54.12 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.414 1.485 . . . . 0.0 111.517 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 39.52 41.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.077 1.751 . . . . 0.0 113.922 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.48 174.85 54.98 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.818 1.199 . . . . 0.0 115.012 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.5 141.5 44.9 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.214 1.406 . . . . 0.0 111.251 170.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.94 141.95 37.34 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.212 1.405 . . . . 0.0 112.357 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -138.7 153.16 48.5 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.894 2.078 . . . . 0.0 109.705 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -145.33 144.0 30.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.731 1.212 . . . . 0.0 112.402 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.07 114.16 22.69 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.572 1.949 . . . . 0.0 111.427 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.74 -11.37 58.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.455 -1.403 . . . . 0.0 114.398 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.42 -20.11 55.07 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.315 3.0 t -129.71 7.32 5.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt 53.2 39.18 29.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.902 1.681 . . . . 0.0 114.033 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -126.12 139.72 53.15 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.229 . . . . 0.0 110.749 -172.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.27 145.58 39.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.776 2.43 . . . . 0.0 109.108 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.5 m -131.44 135.86 47.49 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.876 0.87 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.98 123.29 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.45 1.5 . . . . 0.0 109.608 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -134.99 139.91 45.25 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 113.07 -172.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.44 169.77 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.13 131.48 42.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.316 0.647 . . . . 0.0 110.812 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.9 159.08 31.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.76 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -134.46 154.91 51.17 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.768 1.227 . . . . 0.0 112.606 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.93 129.56 40.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.686 2.395 . . . . 0.0 110.489 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -111.41 124.76 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.474 1.509 . . . . 0.0 109.123 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 tp -112.14 116.22 30.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.789 1.236 . . . . 0.0 111.069 -172.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.14 114.39 21.88 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.881 1.672 . . . . 0.0 110.758 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.29 170.57 35.63 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.466 1.508 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -86.64 -35.72 19.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -75.69 -46.21 32.58 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.386 0.674 . . . . 0.0 111.61 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -144.4 150.18 37.31 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.348 1.459 . . . . 0.0 111.971 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.23 158.59 42.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.504 1.922 . . . . 0.0 109.905 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.17 -172.49 44.83 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 116.69 1.436 . . . . 0.0 116.69 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.78 133.64 21.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.597 1.959 . . . . 0.0 111.774 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 p -137.41 158.28 44.74 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -143.32 140.47 30.58 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.025 1.33 . . . . 0.0 111.33 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.17 166.17 26.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.915 2.086 . . . . 0.0 111.075 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.24 125.7 44.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.675 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 171.2 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.218 1.807 . . . . 0.0 111.168 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.16 -40.41 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.186 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -151.24 169.9 20.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.523 1.529 . . . . 0.0 112.654 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.13 51.13 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.142 1.377 . . . . 0.0 113.47 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.78 -36.91 49.98 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.3 1.04 . . . . 0.0 111.072 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -68.95 -44.22 73.43 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.674 -1.266 . . . . 0.0 111.794 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.56 82.09 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.775 -1.203 . . . . 0.0 113.41 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.74 -39.35 94.07 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.491 0.716 . . . . 0.0 110.691 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -65.81 -44.85 84.4 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.282 -0.886 . . . . 0.0 112.893 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -51.01 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 120.339 -1.475 . . . . 0.0 111.066 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.77 -39.85 82.19 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -67.58 -26.24 66.18 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.81 -41.71 67.91 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.159 -1.588 . . . . 0.0 112.732 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.07 -34.53 66.3 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -130.75 116.92 18.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.148 1.379 . . . . 0.0 113.217 -170.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -164.18 -39.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -159.8 15.85 0.15 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -56.73 -39.05 73.24 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.163 0.982 . . . . 0.0 110.706 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.62 30.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.229 0 N-CA-C 117.866 1.907 . . . . 0.0 117.866 -174.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.1 -49.16 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 42.13 41.89 2.22 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.657 1.583 . . . . 0.0 114.607 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.85 54.94 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.56 1.076 . . . . 0.0 114.934 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -74.3 123.1 23.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.918 1.287 . . . . 0.0 111.775 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -80.37 141.77 35.06 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 112.398 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -138.92 154.59 48.36 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.043 2.137 . . . . 0.0 109.748 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -142.54 136.61 29.46 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.636 1.107 . . . . 0.0 112.685 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -117.95 102.03 8.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.009 2.124 . . . . 0.0 110.55 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -29.79 69.8 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -20.85 47.86 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -129.02 12.69 6.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.691 1.997 . . . . 0.0 113.067 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt 42.09 44.1 3.0 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.044 1.738 . . . . 0.0 114.432 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.1 m -128.54 135.92 50.05 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.899 0.857 . . . . 0.0 112.591 -171.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -100.53 145.68 28.02 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.979 2.512 . . . . 0.0 109.707 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.5 m -127.04 148.61 50.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.087 0.955 . . . . 0.0 109.994 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.94 122.78 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.086 1.754 . . . . 0.0 108.736 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -134.84 111.6 10.02 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.773 1.229 . . . . 0.0 111.711 169.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -77.03 131.16 38.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.517 0.727 . . . . 0.0 110.964 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.72 158.41 33.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.869 1.668 . . . . 0.0 111.544 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.52 154.23 51.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.706 1.203 . . . . 0.0 112.923 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.62 114.93 13.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.183 2.193 . . . . 0.0 110.986 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -94.76 127.71 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.929 1.291 . . . . 0.0 109.277 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.84 119.8 40.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.622 1.969 . . . . 0.0 110.445 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.3 134.22 55.22 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.209 1.004 . . . . 0.0 108.989 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.33 48.45 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.36 -41.08 5.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.393 1.477 . . . . 0.0 112.016 -173.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 44.3 m -75.29 -31.8 60.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.698 1.199 . . . . 0.0 112.566 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -151.55 146.96 26.25 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.53 1.132 . . . . 0.0 113.255 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -132.61 150.16 52.2 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.272 1.429 . . . . 0.0 109.098 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.13 -174.55 45.96 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -146.76 134.22 20.82 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.993 2.117 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.8 p -136.69 164.95 27.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.856 0.863 . . . . 0.0 113.063 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -146.38 146.15 30.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.151 1.38 . . . . 0.0 111.016 -171.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -145.0 166.04 26.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.165 1.786 . . . . 0.0 111.525 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -126.66 115.02 18.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.193 1.397 . . . . 0.0 111.023 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.12 161.76 34.43 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.722 1.609 . . . . 0.0 111.899 -170.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.18 -36.17 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.86 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -153.62 169.31 23.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.203 1.801 . . . . 0.0 111.23 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.55 62.11 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.456 1.102 . . . . 0.0 113.21 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.06 -35.11 64.25 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.141 -0.974 . . . . 0.0 111.78 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.3 m -69.17 -43.38 74.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 111.549 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.36 94.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.642 -1.286 . . . . 0.0 113.583 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.69 -39.43 91.43 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.052 0.941 . . . . 0.0 110.964 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.51 -42.43 87.36 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.86 -50.37 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.359 -1.463 . . . . 0.0 111.565 171.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -62.76 -34.6 77.57 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.039 -1.038 . . . . 0.0 113.593 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.61 -20.39 60.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.82 -37.86 62.19 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.043 -1.036 . . . . 0.0 112.079 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -77.17 -33.0 56.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 172.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.6 29.79 7.02 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.395 1.478 . . . . 0.0 114.682 -170.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.98 -44.11 63.89 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -158.27 -70.86 0.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 26.94 59.96 0.09 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 128.849 2.86 . . . . 0.0 117.231 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.68 11.6 85.29 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 120.245 -1.534 . . . . 0.0 116.124 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.58 -60.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.949 1.3 . . . . 0.0 111.346 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 36.93 44.04 0.33 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.36 1.864 . . . . 0.0 114.297 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.52 178.95 47.63 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.047 1.308 . . . . 0.0 115.896 -169.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.98 140.84 37.92 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.443 1.497 . . . . 0.0 111.537 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -108.57 142.36 39.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.409 1.484 . . . . 0.0 112.75 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -138.87 154.81 48.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.912 2.085 . . . . 0.0 109.672 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -144.44 145.21 31.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.858 1.263 . . . . 0.0 112.882 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -117.97 116.34 26.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.17 2.188 . . . . 0.0 110.935 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.11 -28.18 61.23 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.124 -0.985 . . . . 0.0 113.585 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.4 59.95 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.346 2.7 t -129.17 10.52 5.83 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 53.97 33.25 17.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.463 1.505 . . . . 0.0 112.381 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -119.98 134.99 55.08 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.963 -170.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.76 145.62 29.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.593 2.357 . . . . 0.0 109.567 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -128.11 137.1 51.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.872 0.869 . . . . 0.0 110.348 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.01 128.16 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.91 1.684 . . . . 0.0 109.603 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.73 139.23 45.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.157 0.983 . . . . 0.0 111.378 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.227 1.011 . . . . 0.0 112.003 171.09 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.08 133.91 44.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.039 0.936 . . . . 0.0 111.705 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.82 160.02 29.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.461 1.904 . . . . 0.0 111.728 170.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -134.0 155.24 50.32 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.997 1.319 . . . . 0.0 112.941 -174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.31 130.44 37.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.748 2.419 . . . . 0.0 110.641 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.3 mt -112.35 125.12 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.45 1.5 . . . . 0.0 109.545 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.8 tp -108.16 119.09 38.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 0.0 111.469 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.02 112.83 19.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.31 1.844 . . . . 0.0 109.774 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.84 176.09 40.69 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.798 0.679 . . . . 0.0 114.798 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -93.21 -37.72 11.93 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.345 1.458 . . . . 0.0 111.517 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -75.05 -36.29 61.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.458 1.503 . . . . 0.0 112.668 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -151.94 150.52 30.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.308 1.443 . . . . 0.0 111.514 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.96 148.24 48.4 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.432 1.493 . . . . 0.0 109.163 169.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -173.14 44.09 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 116.712 1.445 . . . . 0.0 116.712 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -144.17 131.58 20.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.367 1.867 . . . . 0.0 111.348 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -133.61 162.4 32.02 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.232 1.013 . . . . 0.0 113.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.52 144.9 31.56 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.13 1.372 . . . . 0.0 110.928 -171.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -146.59 165.67 28.8 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.461 1.504 . . . . 0.0 110.845 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -122.7 126.14 46.96 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.004 1.321 . . . . 0.0 110.53 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 171.19 14.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.967 1.707 . . . . 0.0 110.971 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.19 -46.68 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.299 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -146.89 166.77 25.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.027 1.331 . . . . 0.0 113.572 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.78 -29.57 28.18 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.669 1.587 . . . . 0.0 113.039 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -41.66 49.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.324 1.05 . . . . 0.0 110.854 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -64.91 -47.18 78.68 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.73 -1.231 . . . . 0.0 112.003 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -38.07 82.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.812 -1.18 . . . . 0.0 113.646 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.87 -37.39 86.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.55 0.74 . . . . 0.0 110.749 171.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.94 -44.62 80.18 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.233 0.924 . . . . 0.0 112.905 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.84 -52.29 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.986 1.266 . . . . 0.0 110.783 173.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.98 -36.32 76.89 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -66.56 -22.29 66.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 173.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -40.99 71.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.023 -1.673 . . . . 0.0 113.007 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -79.23 -25.68 42.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -130.11 111.26 12.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.056 1.343 . . . . 0.0 112.325 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -158.76 -63.55 0.08 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.354 1.062 . . . . 0.0 112.015 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -158.78 17.08 0.19 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.09 1.756 . . . . 0.0 114.796 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.66 -38.73 72.6 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.698 -0.626 . . . . 0.0 111.268 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.37 17.04 0.05 OUTLIER Glycine 0 N--CA 1.471 1.024 0 N-CA-C 117.849 1.9 . . . . 0.0 117.849 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.01 -46.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.15 43.28 1.88 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.986 1.314 . . . . 0.0 113.448 -170.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 172.55 51.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.93 129.82 34.92 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.382 2.273 . . . . 0.0 111.398 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -92.5 144.93 24.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.037 1.335 . . . . 0.0 113.498 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.99 156.47 47.2 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.027 1.731 . . . . 0.0 109.89 169.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -143.4 137.64 28.82 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.563 1.145 . . . . 0.0 112.759 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.14 110.02 17.1 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.151 2.18 . . . . 0.0 110.616 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -29.91 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.782 0.833 . . . . 0.0 113.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.51 -25.35 10.05 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 113.411 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.9 p -128.81 9.47 5.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.669 1.987 . . . . 0.0 112.442 -173.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.7 mmtm 38.16 43.61 0.59 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.526 1.93 . . . . 0.0 114.422 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -126.85 134.67 50.47 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.947 0.879 . . . . 0.0 112.656 -170.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.24 145.77 29.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.688 2.795 . . . . 0.0 110.033 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m -125.54 142.78 51.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.188 0.995 . . . . 0.0 109.973 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.67 124.26 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.302 1.841 . . . . 0.0 109.007 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.72 139.38 45.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.817 1.247 . . . . 0.0 113.291 -173.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 124.108 0.963 . . . . 0.0 111.466 169.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.31 133.43 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 111.296 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -124.72 156.53 37.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.103 1.761 . . . . 0.0 111.804 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -133.62 152.83 51.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 112.585 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -132.77 112.29 11.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.813 2.045 . . . . 0.0 111.129 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.64 123.89 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.315 1.446 . . . . 0.0 108.721 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -113.61 119.25 36.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.213 1.405 . . . . 0.0 110.116 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 123.29 42.89 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' B' ' 13' ' ' LYS . . . -152.53 177.7 30.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.693 1.139 . . . . 0.0 114.584 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -101.35 -0.49 35.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.502 1.121 . . . . 0.0 113.341 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -131.31 -41.98 1.08 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.713 2.005 . . . . 0.0 110.783 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -136.32 145.45 45.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.114 1.365 . . . . 0.0 111.703 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HG2' ' H ' ' B' ' 9' ' ' GLY . 97.4 mttt -136.45 156.23 48.89 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.611 1.965 . . . . 0.0 110.203 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.14 -171.91 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 116.577 1.391 . . . . 0.0 116.577 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.59 131.66 23.16 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.49 1.916 . . . . 0.0 110.873 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -136.66 162.63 32.61 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.825 0.85 . . . . 0.0 112.942 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.92 143.74 30.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.457 1.503 . . . . 0.0 111.107 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -144.16 166.16 25.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 111.326 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -119.55 127.48 53.04 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.615 1.566 . . . . 0.0 109.297 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 156.77 48.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.713 1.605 . . . . 0.0 111.709 -171.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.65 -37.52 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.356 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -156.36 173.22 17.2 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.598 1.559 . . . . 0.0 110.898 173.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.06 -30.29 35.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.679 1.992 . . . . 0.0 113.345 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.83 46.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.888 1.275 . . . . 0.0 112.729 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -80.17 -39.21 29.77 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.244 -0.91 . . . . 0.0 111.039 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.56 88.68 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.761 -1.212 . . . . 0.0 112.268 169.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.66 -40.39 96.89 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.401 0.68 . . . . 0.0 111.721 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.49 -42.3 99.4 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.391 0.541 . . . . 0.0 112.34 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.42 -53.84 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.321 -0.862 . . . . 0.0 111.675 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.52 -34.42 77.75 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.19 -25.09 66.78 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.023 -1.048 . . . . 0.0 113.106 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -37.46 84.86 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.704 -1.248 . . . . 0.0 112.942 177.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -91.81 -27.68 17.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -122.35 21.57 10.28 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -53.93 -65.5 0.56 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -162.8 30.33 0.1 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.602 1.961 . . . . 0.0 113.307 -172.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.99 -33.77 76.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.58 23.77 0.02 OUTLIER Glycine 0 N--CA 1.479 1.549 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 173.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.55 40.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.496 1.518 . . . . 0.0 111.496 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -66.04 44.58 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 128.763 2.825 . . . . 0.0 114.122 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.95 -168.67 45.05 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 126.981 2.229 . . . . 0.0 116.413 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.57 115.08 10.33 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.083 1.353 . . . . 0.0 111.186 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -83.54 142.3 30.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.046 0.939 . . . . 0.0 111.425 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -138.93 155.47 48.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.29 2.236 . . . . 0.0 109.52 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -143.05 141.61 31.35 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.262 1.392 . . . . 0.0 113.493 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.05 120.05 36.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.194 2.598 . . . . 0.0 111.749 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.67 -29.95 29.61 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.063 -1.023 . . . . 0.0 112.989 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.67 -18.22 58.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.117 1.367 . . . . 0.0 114.19 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -128.89 -5.7 5.06 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt 54.19 40.41 31.65 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.755 1.222 . . . . 0.0 111.72 -174.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -116.52 138.39 51.43 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -170.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -112.36 145.58 39.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.7 2.0 . . . . 0.0 108.987 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.4 m -132.41 133.92 44.5 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.857 0.863 . . . . 0.0 109.888 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -125.32 127.35 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.341 1.456 . . . . 0.0 109.263 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -134.6 139.54 45.42 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -169.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 127.543 2.337 . . . . 0.0 110.683 169.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.28 133.98 36.64 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.032 0.933 . . . . 0.0 112.056 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.01 161.41 26.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.87 2.068 . . . . 0.0 111.815 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -135.56 155.31 50.68 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.869 1.268 . . . . 0.0 113.154 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.56 127.26 45.01 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.58 2.752 . . . . 0.0 109.598 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mt -106.69 125.07 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.581 1.552 . . . . 0.0 109.246 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.69 115.65 29.46 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.78 1.232 . . . . 0.0 110.974 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.14 115.82 24.43 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.599 1.56 . . . . 0.0 111.316 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 172.88 29.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.527 1.537 . . . . 0.0 113.672 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.63 -7.13 58.6 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -135.47 -20.05 1.62 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.996 1.718 . . . . 0.0 112.99 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -151.8 145.58 25.07 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.835 1.654 . . . . 0.0 110.545 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -141.27 152.91 44.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.882 1.273 . . . . 0.0 110.935 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.21 -170.76 43.91 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.36 140.67 30.61 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.935 1.694 . . . . 0.0 112.353 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.94 152.48 51.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.215 1.006 . . . . 0.0 112.927 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -142.38 141.39 32.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 110.696 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -151.31 161.35 42.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.388 1.075 . . . . 0.0 111.357 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.62 121.9 44.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.761 1.624 . . . . 0.0 109.797 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.07 174.04 11.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.726 1.61 . . . . 0.0 110.498 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.25 -44.74 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.929 -0.482 . . . . 0.0 110.371 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -152.02 171.19 18.22 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.96 42.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.31 1.444 . . . . 0.0 113.777 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.86 37.96 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.936 1.244 . . . . 0.0 111.717 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -66.18 -47.19 74.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.114 -1.616 . . . . 0.0 111.598 169.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.56 83.82 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.086 -1.009 . . . . 0.0 113.395 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.42 -40.67 97.82 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.813 0.845 . . . . 0.0 110.984 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.4 -46.52 82.94 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.885 0.766 . . . . 0.0 111.972 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.77 -51.67 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.712 1.142 . . . . 0.0 110.923 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -59.9 -40.59 89.29 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -65.79 -29.17 69.62 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.831 -0.604 . . . . 0.0 112.489 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.81 -44.0 91.3 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.333 1.879 . . . . 0.0 112.072 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -79.28 -25.78 42.43 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.22 29.16 5.18 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 -169.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -99.29 115.56 29.44 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.655 -1.278 . . . . 0.0 110.587 169.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 57.09 24.79 10.07 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -58.44 -42.05 86.45 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-O 123.221 1.486 . . . . 0.0 109.645 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.42 30.01 0.03 OUTLIER Glycine 0 N--CA 1.474 1.217 0 C-N-CA 126.74 2.114 . . . . 0.0 114.824 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.02 40.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.193 1.797 . . . . 0.0 110.492 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.98 44.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.378 2.671 . . . . 0.0 113.989 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.3 -170.73 44.12 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 127.116 2.293 . . . . 0.0 113.946 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.39 115.48 19.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.7 1.2 . . . . 0.0 111.895 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -80.02 136.14 36.52 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.453 0.644 . . . . 0.0 110.753 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -138.97 155.15 48.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.928 2.091 . . . . 0.0 109.815 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -141.94 141.58 32.96 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.941 1.246 . . . . 0.0 113.306 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.07 114.6 23.35 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.344 2.258 . . . . 0.0 112.132 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.52 -11.16 58.66 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.92 -24.67 52.44 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -128.91 11.17 6.04 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.156 1.782 . . . . 0.0 115.169 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 53.52 47.36 24.18 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.701 1.601 . . . . 0.0 113.19 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.0 m -133.46 138.8 46.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.838 0.855 . . . . 0.0 111.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -102.86 145.75 29.32 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.957 2.503 . . . . 0.0 109.043 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -127.81 147.15 50.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 110.026 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -132.92 121.88 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.805 1.642 . . . . 0.0 109.121 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -135.01 111.76 10.05 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.734 169.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -74.16 132.42 42.2 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.386 0.675 . . . . 0.0 111.367 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -124.7 159.14 31.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.902 1.681 . . . . 0.0 111.495 170.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -135.02 154.29 51.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.663 1.185 . . . . 0.0 112.646 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.23 130.07 42.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.606 2.362 . . . . 0.0 109.818 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.29 130.64 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.558 1.543 . . . . 0.0 108.81 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.7 tp -112.07 119.71 39.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.313 1.845 . . . . 0.0 109.754 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.3 132.36 56.62 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 172.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.09 -174.34 46.69 Favored Glycine 0 N--CA 1.469 0.888 0 N-CA-C 115.072 0.789 . . . . 0.0 115.072 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -112.53 -34.29 5.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.626 1.57 . . . . 0.0 112.165 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -76.31 -35.03 59.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.226 1.01 . . . . 0.0 112.674 169.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -151.8 152.05 32.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.828 1.651 . . . . 0.0 112.606 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -131.69 155.45 47.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.247 1.819 . . . . 0.0 108.728 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.76 -175.49 43.88 Favored Glycine 0 N--CA 1.476 1.312 0 N-CA-C 117.26 1.664 . . . . 0.0 117.26 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -149.23 132.57 16.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.098 2.159 . . . . 0.0 111.19 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -137.74 166.34 24.22 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 113.318 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 146.02 30.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.325 1.45 . . . . 0.0 111.318 -170.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -146.26 166.05 27.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.639 1.575 . . . . 0.0 111.125 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -124.81 114.08 18.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.496 1.518 . . . . 0.0 109.652 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.13 163.12 31.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.638 1.575 . . . . 0.0 112.575 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.83 -39.1 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.465 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.28 168.28 26.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.058 1.343 . . . . 0.0 111.307 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.32 38.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.553 1.941 . . . . 0.0 112.424 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.07 68.56 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.871 -1.143 . . . . 0.0 112.489 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -72.69 -45.21 59.97 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.883 -1.136 . . . . 0.0 111.706 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.24 92.93 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.61 -1.306 . . . . 0.0 113.472 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.89 -42.54 98.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.405 0.682 . . . . 0.0 110.898 170.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.04 -49.68 73.63 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.76 -51.57 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.817 1.189 . . . . 0.0 111.367 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.85 -35.42 76.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.13 -24.0 60.55 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -39.04 82.54 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.092 -1.63 . . . . 0.0 112.201 170.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -77.98 -33.49 51.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -118.39 24.32 11.01 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.53 116.33 28.35 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.991 -1.693 . . . . 0.0 111.16 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 t70 54.2 26.42 6.68 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -57.59 -40.99 80.28 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 122.568 1.175 . . . . 0.0 109.562 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.71 -23.66 0.09 OUTLIER Glycine 0 CA--C 1.532 1.153 0 N-CA-C 117.6 1.8 . . . . 0.0 117.6 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.48 -48.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.845 1.323 . . . . 0.0 111.847 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 39.22 40.26 0.5 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.317 1.847 . . . . 0.0 113.536 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.71 -179.97 35.98 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.269 1.414 . . . . 0.0 114.92 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.57 140.69 41.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.841 1.256 . . . . 0.0 111.938 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -107.29 140.06 40.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.447 1.499 . . . . 0.0 112.176 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.98 155.35 48.07 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.412 1.885 . . . . 0.0 109.997 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -142.12 137.41 30.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.835 1.254 . . . . 0.0 111.951 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -118.08 112.49 20.28 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.653 1.981 . . . . 0.0 110.084 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.76 -32.88 62.2 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -10.02 11.7 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 12.9 t -129.2 12.51 6.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.034 1.734 . . . . 0.0 114.299 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 40.66 40.62 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.965 1.706 . . . . 0.0 114.947 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -127.47 137.13 52.6 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -104.91 145.72 30.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.222 2.609 . . . . 0.0 109.401 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.0 m -129.88 137.97 50.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.945 0.898 . . . . 0.0 110.274 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.61 130.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.266 1.826 . . . . 0.0 109.271 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.2 m -134.74 117.12 15.65 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.639 0.776 . . . . 0.0 111.759 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.141 1.776 . . . . 0.0 112.886 176.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.384 0.135 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -84.28 131.86 34.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 111.788 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.82 158.81 32.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.794 2.037 . . . . 0.0 112.122 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.16 153.65 49.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.885 1.274 . . . . 0.0 112.795 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.19 130.39 42.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.204 2.202 . . . . 0.0 110.677 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -111.58 127.02 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.533 1.533 . . . . 0.0 109.465 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -113.57 119.4 37.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.112 1.365 . . . . 0.0 111.688 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.81 125.9 49.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 110.469 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.18 174.54 43.02 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.134 1.35 . . . . 0.0 114.153 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -95.23 -32.21 13.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.469 1.108 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 p -77.86 -48.06 17.32 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.095 0.958 . . . . 0.0 111.881 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -145.86 146.58 31.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.165 1.386 . . . . 0.0 112.095 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -132.04 158.97 40.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.726 2.01 . . . . 0.0 110.556 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.08 -174.34 46.71 Favored Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -148.07 133.17 18.28 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.597 1.959 . . . . 0.0 112.202 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -135.37 161.01 36.63 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.55 141.84 27.4 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.277 1.431 . . . . 0.0 111.842 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -145.62 162.42 37.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.889 1.675 . . . . 0.0 111.426 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.79 122.56 43.73 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.761 1.624 . . . . 0.0 109.72 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.99 166.25 23.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.623 1.569 . . . . 0.0 111.791 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.21 -33.38 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.048 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.83 169.73 22.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.626 1.57 . . . . 0.0 108.709 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.0 44.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.793 1.637 . . . . 0.0 112.669 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.94 62.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.157 1.383 . . . . 0.0 112.304 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -71.48 -41.61 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.641 -1.287 . . . . 0.0 111.585 170.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.93 90.64 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.575 1.08 . . . . 0.0 112.834 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.38 -40.4 94.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.953 0.901 . . . . 0.0 111.28 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -64.66 -45.21 87.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 113.157 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.76 -50.92 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.562 -1.336 . . . . 0.0 111.139 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -58.8 -41.98 88.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.44 -29.77 69.98 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.51 -32.01 73.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.195 -1.565 . . . . 0.0 113.356 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -87.09 -23.33 24.94 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 171.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -124.13 15.16 9.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -169.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -90.39 132.13 35.78 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.715 -1.24 . . . . 0.0 110.494 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.51 12.37 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -57.92 -37.12 73.48 Favored 'General case' 0 CA--C 1.558 1.279 0 O-C-N 120.784 -1.198 . . . . 0.0 112.551 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.46 -29.67 0.19 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.911 1.72 . . . . 0.0 116.929 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.91 -42.15 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.055 1.427 . . . . 0.0 112.826 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 39.12 38.05 0.28 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.738 2.015 . . . . 0.0 114.288 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.79 174.34 49.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.976 1.274 . . . . 0.0 115.85 -169.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.84 131.94 35.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.194 1.798 . . . . 0.0 111.483 172.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -95.69 144.99 25.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.778 1.631 . . . . 0.0 112.796 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.96 153.28 48.17 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.912 1.685 . . . . 0.0 109.943 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -144.35 138.5 27.87 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.909 1.284 . . . . 0.0 112.169 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.0 106.77 13.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.878 2.071 . . . . 0.0 110.238 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -69.23 -27.92 65.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.93 0.892 . . . . 0.0 113.289 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -25.27 59.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.548 1.539 . . . . 0.0 113.8 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.4 p -128.73 8.23 5.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.794 1.638 . . . . 0.0 113.018 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 44.9 35.14 1.4 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.015 2.126 . . . . 0.0 113.051 -175.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.4 m -125.5 135.55 52.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 122.213 1.006 . . . . 0.0 113.001 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -108.74 145.96 34.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 129.36 3.064 . . . . 0.0 109.944 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -131.22 147.39 52.59 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.786 -1.196 . . . . 0.0 111.255 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.28 129.0 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.886 2.074 . . . . 0.0 108.896 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -134.44 129.84 35.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.316 1.046 . . . . 0.0 111.608 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.384 1.874 . . . . 0.0 112.415 -176.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.52 133.16 41.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.971 0.908 . . . . 0.0 112.291 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.63 156.47 37.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.867 1.667 . . . . 0.0 111.482 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -135.55 154.96 51.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.695 1.198 . . . . 0.0 112.795 -172.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -134.36 129.53 35.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.979 2.112 . . . . 0.0 110.916 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -112.92 127.51 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.485 1.514 . . . . 0.0 109.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -106.69 119.66 39.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.553 1.941 . . . . 0.0 110.781 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.85 117.21 27.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.092 0.957 . . . . 0.0 109.753 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.3 172.15 42.2 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -88.71 -31.59 18.39 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.903 1.281 . . . . 0.0 112.628 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -75.14 -49.06 20.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 0.0 111.65 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -142.7 147.89 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.514 1.126 . . . . 0.0 113.013 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -128.46 151.52 49.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.955 1.302 . . . . 0.0 110.104 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.34 -173.37 43.7 Favored Glycine 0 N--CA 1.474 1.232 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -147.35 136.81 22.69 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.585 1.954 . . . . 0.0 112.045 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -136.55 163.22 31.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.172 0.989 . . . . 0.0 113.554 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -145.1 143.75 30.57 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.195 1.398 . . . . 0.0 111.068 -173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -143.26 166.15 25.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.018 1.727 . . . . 0.0 111.771 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -127.9 110.07 12.2 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.437 1.495 . . . . 0.0 110.469 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.18 157.51 42.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.552 1.541 . . . . 0.0 111.82 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.24 -33.79 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.781 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -156.24 169.8 23.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.565 1.946 . . . . 0.0 110.793 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.69 62.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.577 1.151 . . . . 0.0 113.246 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.76 61.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.506 1.122 . . . . 0.0 112.069 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -72.37 -40.83 67.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.211 1.004 . . . . 0.0 111.549 170.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.32 94.21 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.529 -1.357 . . . . 0.0 112.865 170.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.55 -40.11 95.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.549 0.74 . . . . 0.0 112.146 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.5 -44.54 95.88 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.727 0.694 . . . . 0.0 111.952 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.54 -51.33 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.452 -0.78 . . . . 0.0 111.891 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -62.91 -35.79 81.24 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.691 -1.256 . . . . 0.0 113.8 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.78 -20.6 66.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.709 -1.244 . . . . 0.0 113.422 171.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.46 38.66 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.468 1.031 . . . . 0.0 112.637 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -79.44 -26.72 41.73 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.4 26.05 8.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.333 1.453 . . . . 0.0 114.409 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -50.57 -38.7 46.67 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.56 -60.12 0.05 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.489 1.515 . . . . 0.0 111.883 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m120 50.51 29.86 4.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.326 2.251 . . . . 0.0 115.05 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.18 32.71 9.82 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 126.991 2.234 . . . . 0.0 114.287 -170.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 -42.48 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.486 1.914 . . . . 0.0 111.485 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 35.81 46.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.338 2.255 . . . . 0.0 115.069 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.5 165.83 51.67 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.98 0.8 . . . . 0.0 114.983 -171.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.41 118.71 11.83 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 110.889 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -80.9 143.16 32.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.617 0.767 . . . . 0.0 111.783 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.1 m -139.02 156.72 46.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.276 2.23 . . . . 0.0 109.338 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -144.82 142.16 29.73 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.925 1.239 . . . . 0.0 113.3 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -118.16 117.27 28.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.195 2.198 . . . . 0.0 111.106 171.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.54 -25.79 38.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.89 -15.19 62.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.334 4.0 t -129.18 10.3 5.8 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 169.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt 52.26 35.15 16.2 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.458 -1.401 . . . . 0.0 113.416 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.35 133.99 55.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.413 0.625 . . . . 0.0 111.729 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.39 145.7 29.59 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.364 2.266 . . . . 0.0 109.353 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 52.2 m -130.49 142.83 50.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.927 0.891 . . . . 0.0 110.359 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.42 129.23 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.191 1.796 . . . . 0.0 109.165 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -134.56 126.75 29.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.851 0.86 . . . . 0.0 111.508 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.917 1.687 . . . . 0.0 112.378 178.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.13 136.48 44.84 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.94 0.896 . . . . 0.0 111.695 173.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.96 159.23 31.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.471 1.908 . . . . 0.0 111.248 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -133.88 155.17 50.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.721 1.208 . . . . 0.0 113.051 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.47 124.46 27.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.888 2.475 . . . . 0.0 110.463 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -101.53 125.67 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.242 1.417 . . . . 0.0 109.448 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 tp -110.28 114.44 27.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.652 1.181 . . . . 0.0 111.74 -173.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.29 130.98 54.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.471 1.508 . . . . 0.0 108.836 169.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.24 171.04 44.0 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 115.76 1.064 . . . . 0.0 115.76 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -77.25 -21.01 54.37 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.14 -19.08 6.13 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.381 1.472 . . . . 0.0 114.433 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -151.49 145.95 25.55 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.02 1.328 . . . . 0.0 111.429 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -137.99 156.06 48.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 109.977 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.31 -163.84 35.22 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -143.94 141.94 30.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.384 1.474 . . . . 0.0 112.656 171.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -138.11 160.54 39.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.369 1.067 . . . . 0.0 113.601 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -143.83 140.94 30.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.245 1.418 . . . . 0.0 110.863 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -145.03 166.16 26.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 0.0 110.509 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -117.16 127.42 54.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.576 1.55 . . . . 0.0 110.788 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 167.49 21.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.627 1.571 . . . . 0.0 111.558 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.28 -42.72 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.82 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -149.98 168.16 24.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.298 1.439 . . . . 0.0 112.973 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.01 53.54 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.803 1.241 . . . . 0.0 113.213 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.58 61.49 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.099 -1.001 . . . . 0.0 111.326 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -66.52 -47.57 72.52 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.686 -1.258 . . . . 0.0 112.143 170.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.53 83.53 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.639 -1.288 . . . . 0.0 113.595 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.493 0.717 . . . . 0.0 110.714 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.78 -48.8 75.45 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.643 0.656 . . . . 0.0 112.212 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.42 -50.41 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.602 1.092 . . . . 0.0 111.387 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.97 -37.48 82.56 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.67 -23.5 65.33 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.46 78.51 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.157 -1.59 . . . . 0.0 113.415 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -86.6 -23.83 25.6 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -127.67 111.17 13.42 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.037 1.335 . . . . 0.0 111.75 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -171.66 -155.76 0.1 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.766 2.027 . . . . 0.0 109.842 -169.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.09 -6.31 0.06 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.913 2.485 . . . . 0.0 117.184 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -61.0 -35.72 77.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.285 0.634 . . . . 0.0 112.628 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.04 0.17 0.03 OUTLIER Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.76 65.37 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.542 1.537 . . . . 0.0 113.049 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -75.82 48.43 0.47 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.304 1.841 . . . . 0.0 108.84 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.43 -166.87 21.1 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 126.971 2.224 . . . . 0.0 117.475 -169.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.41 146.82 51.74 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.416 1.486 . . . . 0.0 111.661 175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -121.21 133.26 55.16 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.547 1.155 . . . . 0.0 114.087 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 t -139.26 166.71 23.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.773 0.829 . . . . 0.0 111.467 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -149.81 139.42 21.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.985 1.314 . . . . 0.0 112.776 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -118.03 101.47 8.28 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.007 2.123 . . . . 0.0 110.271 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.23 -33.19 74.96 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.02 -20.04 8.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.277 1.431 . . . . 0.0 114.546 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -128.82 8.76 5.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.088 1.755 . . . . 0.0 113.509 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 44.87 46.71 9.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.162 1.385 . . . . 0.0 114.173 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -125.6 136.25 53.06 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.594 0.711 . . . . 0.0 112.656 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -104.19 145.8 29.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.597 2.759 . . . . 0.0 109.62 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -125.72 147.05 49.49 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.741 -0.599 . . . . 0.0 110.502 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -130.42 127.26 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.892 1.677 . . . . 0.0 109.744 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -134.96 139.89 45.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 127.634 2.374 . . . . 0.0 109.846 169.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.12 131.61 35.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.637 0.775 . . . . 0.0 112.269 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -124.66 159.91 29.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.732 2.013 . . . . 0.0 111.656 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -135.49 155.16 50.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.527 1.131 . . . . 0.0 113.054 -173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.04 114.93 13.72 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.565 2.346 . . . . 0.0 110.607 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -95.55 125.99 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.902 1.281 . . . . 0.0 109.025 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -110.45 119.55 39.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.047 1.739 . . . . 0.0 110.263 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.88 129.69 54.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.613 1.165 . . . . 0.0 109.379 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.47 -171.47 43.77 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.12 0.866 . . . . 0.0 114.565 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -111.98 -34.93 5.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.823 1.249 . . . . 0.0 113.676 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 36.4 p -74.44 -34.59 63.24 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.25 -0.906 . . . . 0.0 112.781 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 147.06 26.28 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.303 1.441 . . . . 0.0 112.713 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -133.17 150.3 52.01 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.117 1.367 . . . . 0.0 109.838 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.61 44.26 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -145.47 131.86 19.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.947 2.099 . . . . 0.0 110.286 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.3 p -137.15 160.98 37.4 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.939 0.896 . . . . 0.0 112.352 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.49 143.97 29.32 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.03 1.332 . . . . 0.0 111.3 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -143.38 166.14 25.59 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.411 1.884 . . . . 0.0 111.91 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.74 111.23 13.45 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.254 1.422 . . . . 0.0 110.59 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.84 166.57 18.81 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.994 1.718 . . . . 0.0 112.204 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.15 -36.82 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -151.27 163.58 38.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.766 2.027 . . . . 0.0 108.795 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.62 -25.45 7.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.192 1.397 . . . . 0.0 113.786 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.48 71.01 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.658 1.583 . . . . 0.0 111.922 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -72.43 -40.7 66.91 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.183 -0.948 . . . . 0.0 111.322 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.3 89.95 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.643 -1.286 . . . . 0.0 113.979 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.92 -32.73 67.66 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.84 -47.09 87.94 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 118.933 0.788 . . . . 0.0 111.606 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.81 -52.54 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 121.239 -0.913 . . . . 0.0 111.754 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.95 -39.05 73.82 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 112.743 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.21 -20.39 63.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.57 -38.01 89.55 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.199 1.363 . . . . 0.0 112.581 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.95 -26.21 27.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.791 1.236 . . . . 0.0 113.91 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.66 28.06 8.54 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -63.31 73.02 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 127.379 2.272 . . . . 0.0 113.544 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 66.6 -59.68 0.35 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.818 2.847 . . . . 0.0 111.768 -169.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 38.88 37.6 0.22 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 169.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.05 10.66 71.36 Favored Glycine 0 N--CA 1.474 1.226 0 O-C-N 119.366 -2.084 . . . . 0.0 115.783 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.91 -41.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 118.584 1.192 . . . . 0.0 113.659 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 39.81 34.23 0.16 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.408 2.283 . . . . 0.0 116.333 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.49 165.0 47.73 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.464 1.031 . . . . 0.0 115.442 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.26 127.06 31.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.457 1.503 . . . . 0.0 110.422 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -90.47 140.79 29.39 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.752 0.821 . . . . 0.0 111.133 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -138.75 153.81 48.49 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.055 2.142 . . . . 0.0 109.114 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -143.16 139.14 30.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.174 1.352 . . . . 0.0 112.344 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.05 113.13 21.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.654 1.982 . . . . 0.0 109.794 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.98 -38.16 75.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.333 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.89 -11.24 7.28 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.722 . . . . 0.0 115.244 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -129.37 12.41 5.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.621 1.568 . . . . 0.0 114.395 169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 39.44 40.52 0.59 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.366 1.867 . . . . 0.0 115.046 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.6 m -125.91 136.09 52.64 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.69 -0.631 . . . . 0.0 112.161 -170.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.07 145.64 28.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.972 2.109 . . . . 0.0 109.426 173.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -127.38 137.79 52.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 110.026 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.43 127.14 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.228 1.411 . . . . 0.0 109.197 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -134.89 137.12 42.91 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.198 0.999 . . . . 0.0 112.001 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.439 170.1 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.399 0.142 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.95 132.93 44.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.874 0.87 . . . . 0.0 111.048 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.71 156.15 38.1 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.893 1.677 . . . . 0.0 111.443 170.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -135.59 155.31 50.66 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.468 1.107 . . . . 0.0 113.212 -172.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.63 134.08 40.82 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.182 2.193 . . . . 0.0 111.149 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -116.18 120.14 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.629 1.572 . . . . 0.0 109.939 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -99.21 119.46 37.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.08 1.752 . . . . 0.0 111.189 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.87 140.64 49.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.98 1.312 . . . . 0.0 110.187 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.67 178.61 45.62 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.035 0.826 . . . . 0.0 114.229 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -96.11 -37.03 10.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.291 1.436 . . . . 0.0 111.683 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 m -83.52 -29.8 27.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.342 1.457 . . . . 0.0 113.005 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -151.86 149.21 28.72 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.455 1.102 . . . . 0.0 112.475 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -135.89 155.61 50.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.331 1.453 . . . . 0.0 109.107 169.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.74 -172.83 43.85 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.15 136.64 24.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.154 1.782 . . . . 0.0 112.455 177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 p -134.65 160.06 39.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.143 0.977 . . . . 0.0 113.405 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.4 28.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.936 1.294 . . . . 0.0 110.857 -173.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.73 166.08 25.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.032 1.733 . . . . 0.0 111.361 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.06 117.99 26.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.993 1.717 . . . . 0.0 109.211 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.14 166.4 23.48 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.065 1.346 . . . . 0.0 111.249 -170.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 7.0 p -75.16 -25.59 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.402 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -163.32 165.09 24.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.599 1.56 . . . . 0.0 108.385 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -29.65 61.19 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.565 1.546 . . . . 0.0 112.506 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.7 52.31 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.244 1.417 . . . . 0.0 111.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.465 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 29.6 m -65.54 -46.05 81.04 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.596 -1.315 . . . . 0.0 112.197 172.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.43 91.47 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.175 -0.953 . . . . 0.0 113.052 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.12 -41.38 96.59 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.088 0.555 . . . . 0.0 111.408 171.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.36 -47.24 80.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.338 0.972 . . . . 0.0 112.665 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -55.81 -51.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.313 0.96 . . . . 0.0 110.552 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -59.32 -39.63 83.69 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.57 -22.83 67.08 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.25 -42.54 79.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.112 -1.618 . . . . 0.0 112.748 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -84.0 -19.83 33.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.682 1.193 . . . . 0.0 114.138 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -130.5 108.39 9.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.118 1.367 . . . . 0.0 112.394 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -171.17 -157.11 0.12 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.287 2.235 . . . . 0.0 109.925 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.06 -3.6 0.85 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -55.82 -34.18 65.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.481 0.712 . . . . 0.0 112.09 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.59 -15.98 0.02 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 117.781 1.873 . . . . 0.0 117.781 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.17 -50.48 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 119.281 1.541 . . . . 0.0 115.028 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 35.56 42.72 0.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.884 2.074 . . . . 0.0 114.33 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.19 172.57 54.73 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 116.33 1.292 . . . . 0.0 116.33 -169.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.55 116.06 13.69 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.741 1.616 . . . . 0.0 110.329 170.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -80.44 142.35 34.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.013 0.925 . . . . 0.0 112.194 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -138.95 153.07 48.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.025 2.13 . . . . 0.0 109.202 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -144.03 134.6 24.82 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.356 1.063 . . . . 0.0 112.391 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -118.16 102.24 8.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.693 1.997 . . . . 0.0 110.75 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.78 -31.18 71.65 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -19.85 15.05 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 114.018 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -128.79 12.73 6.31 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.829 2.052 . . . . 0.0 112.87 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 41.45 43.38 2.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.346 1.858 . . . . 0.0 114.765 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.9 m -129.75 137.46 50.56 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.816 0.817 . . . . 0.0 112.271 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.46 145.61 28.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.192 2.597 . . . . 0.0 110.074 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -129.17 141.0 51.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.035 0.934 . . . . 0.0 109.913 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.0 t -132.61 129.45 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.392 1.477 . . . . 0.0 109.402 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.9 m -134.68 138.83 44.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.539 1.135 . . . . 0.0 111.881 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 124.421 1.088 . . . . 0.0 112.119 173.296 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.48 132.63 40.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.427 0.691 . . . . 0.0 111.184 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.62 155.9 38.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.892 1.677 . . . . 0.0 111.303 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -135.44 155.21 50.91 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.485 1.114 . . . . 0.0 112.607 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.01 136.88 50.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.879 2.471 . . . . 0.0 110.04 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mt -117.8 118.4 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.772 1.629 . . . . 0.0 109.262 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 40.8 tp -97.5 119.59 36.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.57 1.948 . . . . 0.0 110.435 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.01 137.25 54.2 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.841 0.856 . . . . 0.0 108.718 169.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.08 171.84 40.26 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 114.909 0.724 . . . . 0.0 114.909 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -78.93 -29.06 43.9 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.29 1.436 . . . . 0.0 114.061 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -104.06 -24.23 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.329 1.452 . . . . 0.0 113.975 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.57 146.15 25.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.168 1.387 . . . . 0.0 113.025 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.95 150.95 50.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.44 1.096 . . . . 0.0 110.361 169.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -171.46 43.44 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.275 1.27 . . . . 0.0 116.275 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -147.56 142.86 27.31 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.032 1.733 . . . . 0.0 112.696 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -136.83 157.5 46.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.265 1.026 . . . . 0.0 113.219 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -142.8 141.68 31.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.922 1.289 . . . . 0.0 111.317 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -145.24 166.19 26.2 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.835 2.054 . . . . 0.0 111.528 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -128.38 118.34 23.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.954 1.302 . . . . 0.0 111.126 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.66 166.87 21.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.653 1.581 . . . . 0.0 111.754 -170.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 6.0 p -67.61 -34.8 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.072 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.83 167.51 29.43 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.187 1.795 . . . . 0.0 110.484 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -35.17 51.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.91 1.684 . . . . 0.0 112.713 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.57 63.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.706 1.202 . . . . 0.0 112.906 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.478 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 32.2 m -75.15 -41.21 58.75 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.437 -0.79 . . . . 0.0 111.142 172.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.42 98.89 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.865 -1.147 . . . . 0.0 112.868 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.23 -43.22 87.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.548 1.139 . . . . 0.0 111.047 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.34 -46.77 85.06 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.34 -47.95 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.464 1.029 . . . . 0.0 111.816 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.93 -41.75 98.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.052 -1.03 . . . . 0.0 112.883 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.67 -25.87 64.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -64.95 -43.42 92.77 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.361 -0.837 . . . . 0.0 112.674 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -75.36 -50.09 17.01 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.267 0.94 . . . . 0.0 112.676 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -85.13 30.05 0.62 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.721 1.608 . . . . 0.0 113.789 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.27 79.21 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 128.373 2.669 . . . . 0.0 114.011 173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 68.88 -66.84 0.23 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.732 2.813 . . . . 0.0 114.379 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 45.37 28.49 0.47 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.49 2.316 . . . . 0.0 115.838 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.55 29.97 18.88 Favored Glycine 0 CA--C 1.545 1.926 0 C-N-CA 128.086 2.755 . . . . 0.0 114.656 -171.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.99 -38.32 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.531 1.932 . . . . 0.0 110.638 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 32.63 44.6 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.734 2.814 . . . . 0.0 116.291 169.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.15 167.12 43.55 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.62 119.69 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.281 1.432 . . . . 0.0 110.013 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -81.28 137.93 35.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.365 0.666 . . . . 0.0 110.907 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -138.88 155.41 48.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.761 2.024 . . . . 0.0 108.752 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -143.14 138.72 29.99 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.523 1.129 . . . . 0.0 112.536 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.22 109.45 16.37 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.425 1.89 . . . . 0.0 110.334 170.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.77 -37.13 85.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.032 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -11.24 18.75 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.23 12.44 6.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.987 1.715 . . . . 0.0 114.291 170.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.61 40.88 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.044 1.738 . . . . 0.0 115.035 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 93.4 m -126.88 138.19 53.27 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.524 0.678 . . . . 0.0 112.556 -170.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -104.53 145.82 29.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.259 2.624 . . . . 0.0 110.045 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -129.73 142.83 50.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.179 0.991 . . . . 0.0 110.321 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.1 t -130.06 120.84 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.159 1.784 . . . . 0.0 108.982 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.2 m -135.06 139.85 45.09 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.474 1.11 . . . . 0.0 111.487 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 119.406 1.003 . . . . 0.0 111.008 169.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.493 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 22.9 ptp . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 111.517 0.192 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.15 135.16 44.65 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.118 0.967 . . . . 0.0 111.927 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -124.91 159.17 31.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.288 1.835 . . . . 0.0 111.615 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -135.45 154.33 51.47 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.691 1.196 . . . . 0.0 113.186 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -133.25 126.83 32.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.713 2.405 . . . . 0.0 110.758 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.57 129.99 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.602 1.561 . . . . 0.0 109.535 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.7 tp -111.69 119.68 39.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.213 1.405 . . . . 0.0 111.567 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.68 139.27 51.24 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.45 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.05 -177.04 41.34 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.528 1.537 . . . . 0.0 114.337 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -107.81 -1.17 21.11 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.221 1.408 . . . . 0.0 113.447 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 m -138.24 -20.62 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.095 1.758 . . . . 0.0 112.75 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -151.68 144.11 24.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.496 1.518 . . . . 0.0 110.843 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -140.38 155.9 46.59 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.696 1.598 . . . . 0.0 110.801 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.69 -172.18 45.21 Favored Glycine 0 N--CA 1.473 1.147 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -146.69 140.92 26.3 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.339 1.856 . . . . 0.0 111.804 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 p -138.89 159.32 42.41 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -139.67 143.11 36.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.334 1.454 . . . . 0.0 110.828 -176.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -144.86 165.85 26.94 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.639 1.575 . . . . 0.0 110.883 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.6 120.95 35.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.724 1.61 . . . . 0.0 110.268 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 165.63 25.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.376 1.471 . . . . 0.0 111.112 -173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -66.43 -44.07 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p30 -149.91 166.93 28.1 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.331 1.452 . . . . 0.0 113.762 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.77 19.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.833 1.653 . . . . 0.0 113.777 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -41.86 41.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.059 1.344 . . . . 0.0 110.548 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -68.35 -47.96 66.1 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.65 -1.281 . . . . 0.0 112.122 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.47 76.15 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.708 -1.245 . . . . 0.0 113.938 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -75.49 -28.8 59.33 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.596 170.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -65.28 -41.33 94.29 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.883 1.219 . . . . 0.0 111.573 170.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.2 -52.22 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.843 -1.16 . . . . 0.0 110.929 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.4 -32.15 72.93 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -62.12 -27.71 69.13 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.808 0.731 . . . . 0.0 112.595 170.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -41.17 66.04 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.18 -1.575 . . . . 0.0 112.532 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -81.27 -26.21 35.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -131.36 117.08 18.41 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.93 1.292 . . . . 0.0 112.497 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.43 -151.86 0.05 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 126.412 1.885 . . . . 0.0 111.095 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.56 -6.58 3.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.699 2.799 . . . . 0.0 116.247 172.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -49.44 -40.73 37.77 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.858 0.863 . . . . 0.0 111.812 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.2 -39.6 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 116.796 1.479 . . . . 0.0 116.796 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.22 -47.22 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.71 1.255 . . . . 0.0 113.664 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 37.46 38.58 0.14 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.391 1.876 . . . . 0.0 114.749 -172.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.01 44.89 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.025 1.298 . . . . 0.0 115.896 -169.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.5 120.57 22.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.329 1.451 . . . . 0.0 112.008 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -83.04 144.67 29.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.227 1.011 . . . . 0.0 113.536 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -138.79 153.25 48.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.409 1.884 . . . . 0.0 109.955 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -141.37 140.29 33.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.688 1.195 . . . . 0.0 113.095 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -117.92 118.8 32.97 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.784 2.434 . . . . 0.0 111.576 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -82.61 -31.88 28.64 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.16 -0.962 . . . . 0.0 113.098 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.6 -24.04 54.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.935 0.894 . . . . 0.0 112.79 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.2 p -128.77 2.98 5.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.988 1.715 . . . . 0.0 113.514 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 45.4 mmtm 53.71 39.37 30.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.376 1.47 . . . . 0.0 112.234 175.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -125.07 137.7 54.2 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.637 -169.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.95 145.74 34.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.243 2.617 . . . . 0.0 109.23 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.3 m -127.55 146.86 50.38 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.684 0.794 . . . . 0.0 110.428 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.95 128.98 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.668 1.987 . . . . 0.0 108.411 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.76 111.78 10.22 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 126.409 1.883 . . . . 0.0 113.578 177.549 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -73.08 131.39 42.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.902 0.881 . . . . 0.0 111.514 174.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.68 159.34 31.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.752 1.621 . . . . 0.0 111.74 171.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -134.89 153.03 52.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.548 1.139 . . . . 0.0 112.828 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.38 133.15 44.99 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.257 2.223 . . . . 0.0 110.172 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.17 125.59 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.736 1.615 . . . . 0.0 108.421 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.56 119.38 37.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.927 1.691 . . . . 0.0 109.223 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.4 121.54 38.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.795 1.238 . . . . 0.0 109.817 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.37 166.29 35.24 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.472 1.034 . . . . 0.0 114.421 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -73.8 -35.37 64.88 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 0.0 113.729 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.6 p -90.86 -34.07 15.4 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.422 1.089 . . . . 0.0 113.426 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 tt -147.29 143.21 27.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.156 1.382 . . . . 0.0 112.044 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -135.44 152.47 51.42 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.345 1.458 . . . . 0.0 111.13 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.05 -174.64 46.67 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.166 1.226 . . . . 0.0 116.166 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.51 140.2 23.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.756 2.023 . . . . 0.0 111.389 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -139.29 164.14 30.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.297 1.039 . . . . 0.0 113.362 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -142.18 144.92 33.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.405 1.482 . . . . 0.0 110.932 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -143.63 166.17 25.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.314 1.846 . . . . 0.0 111.186 -176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -128.69 114.67 16.92 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.113 1.365 . . . . 0.0 110.398 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.88 166.25 22.74 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.74 1.616 . . . . 0.0 111.193 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.73 -39.73 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.344 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -154.18 171.62 18.89 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.003 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -29.44 41.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.226 1.81 . . . . 0.0 113.088 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.33 57.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.106 0.963 . . . . 0.0 111.868 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -71.41 -44.85 64.13 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.735 -1.228 . . . . 0.0 111.326 171.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.53 86.05 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.856 -1.153 . . . . 0.0 113.524 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.55 -42.49 99.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.367 0.667 . . . . 0.0 111.153 170.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.28 -49.51 75.39 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 122.01 -0.431 . . . . 0.0 112.018 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.38 -51.72 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.185 0.994 . . . . 0.0 111.32 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.07 -36.21 74.69 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.48 -20.38 62.08 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 172.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.05 -45.16 74.67 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.659 -1.275 . . . . 0.0 112.17 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.59 -40.28 50.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.315 1.046 . . . . 0.0 113.26 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -110.97 30.97 6.39 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.7 -40.28 69.02 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -159.51 -60.1 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.578 1.951 . . . . 0.0 110.192 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 66.22 -77.62 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.817 3.247 . . . . 0.0 111.44 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.28 11.12 0.32 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.282 1.42 . . . . 0.0 115.565 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.54 -26.03 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -171.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 40.04 45.3 1.62 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.646 1.579 . . . . 0.0 113.835 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 158.07 41.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.966 0.793 . . . . 0.0 114.791 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.74 125.39 26.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.386 1.475 . . . . 0.0 110.519 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -89.61 138.18 31.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.61 0.764 . . . . 0.0 111.597 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.7 m -138.72 152.23 47.82 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.842 2.057 . . . . 0.0 109.288 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -144.34 138.92 28.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.09 1.314 . . . . 0.0 111.935 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -118.01 111.98 19.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.633 1.973 . . . . 0.0 109.538 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -70.31 -36.79 74.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.947 1.299 . . . . 0.0 112.466 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.81 14.93 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -129.52 12.66 5.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.534 1.534 . . . . 0.0 114.795 169.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt 42.59 39.55 1.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -126.11 136.89 53.44 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -106.92 145.62 31.99 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.596 2.358 . . . . 0.0 109.296 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 45.0 m -132.06 135.44 46.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.433 1.093 . . . . 0.0 110.062 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.14 120.23 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.71 1.604 . . . . 0.0 108.834 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.9 m -134.89 139.98 45.42 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.469 1.108 . . . . 0.0 112.752 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 117.927 -1.035 . . . . 0.0 111.54 169.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.49 134.54 43.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.001 0.92 . . . . 0.0 111.708 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.84 158.08 34.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.434 1.894 . . . . 0.0 111.222 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -134.48 154.73 51.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.737 1.215 . . . . 0.0 112.899 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.63 126.43 29.16 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.478 2.311 . . . . 0.0 110.678 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -105.01 124.51 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.088 1.355 . . . . 0.0 109.44 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.2 tp -108.07 119.29 39.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.913 1.285 . . . . 0.0 111.455 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.83 126.1 50.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.097 1.359 . . . . 0.0 110.065 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.12 174.65 44.85 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.535 1.064 . . . . 0.0 114.776 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmpt? -91.08 -30.25 16.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.116 1.366 . . . . 0.0 112.972 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -99.64 -21.31 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.18 1.792 . . . . 0.0 114.031 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.51 141.43 22.02 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.566 1.546 . . . . 0.0 111.694 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.39 136.05 32.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.349 1.46 . . . . 0.0 110.241 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.78 -170.97 43.07 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.14 133.12 21.32 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.632 1.973 . . . . 0.0 111.437 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -134.57 162.48 32.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.176 0.99 . . . . 0.0 113.398 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.43 143.56 29.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.855 1.262 . . . . 0.0 111.335 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -144.32 165.84 26.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 110.51 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -121.89 124.06 43.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.164 1.386 . . . . 0.0 110.492 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.27 164.95 26.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.983 1.713 . . . . 0.0 111.334 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.5 -38.7 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.357 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -152.59 168.97 23.84 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 111.76 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.9 -28.9 54.11 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.81 1.244 . . . . 0.0 113.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.57 56.82 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.423 1.089 . . . . 0.0 111.483 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 m -69.47 -43.65 72.78 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.686 -1.259 . . . . 0.0 111.667 170.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.04 86.57 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.545 -1.347 . . . . 0.0 112.896 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -43.23 97.65 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.146 0.579 . . . . 0.0 110.55 169.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.56 -49.69 74.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.358 0.527 . . . . 0.0 111.588 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.25 -51.54 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.339 -0.85 . . . . 0.0 111.689 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.76 -38.05 86.55 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -68.06 -29.51 68.49 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.921 -0.487 . . . . 0.0 112.166 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.71 -37.59 87.94 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 119.736 -1.853 . . . . 0.0 112.332 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.48 -27.12 22.86 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -139.29 23.44 2.54 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 119.677 3.214 . . . . 0.0 119.677 -169.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -95.65 -37.72 10.69 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 119.089 -2.257 . . . . 0.0 114.275 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -143.38 9.83 1.64 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 -169.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.07 -28.26 69.34 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.934 -1.104 . . . . 0.0 111.806 170.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.01 -18.11 0.05 OUTLIER Glycine 0 N--CA 1.476 1.346 0 N-CA-C 117.638 1.815 . . . . 0.0 117.638 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.82 -54.79 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 117.912 0.856 . . . . 0.0 112.33 -173.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 39.24 37.86 0.29 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.407 1.883 . . . . 0.0 114.424 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.07 -176.97 40.78 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.386 1.47 . . . . 0.0 115.032 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.6 125.65 32.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.939 1.296 . . . . 0.0 112.251 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -92.56 144.85 24.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.163 1.385 . . . . 0.0 113.422 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 m -139.0 156.04 47.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.346 1.858 . . . . 0.0 110.174 172.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -144.36 137.29 27.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.534 1.133 . . . . 0.0 113.12 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -118.32 103.27 9.65 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.857 2.063 . . . . 0.0 111.233 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.03 -34.85 73.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.987 1.315 . . . . 0.0 113.636 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.25 -21.67 35.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.617 1.167 . . . . 0.0 114.136 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -128.98 12.63 6.19 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.583 1.953 . . . . 0.0 112.948 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 40.37 44.82 1.73 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.168 1.787 . . . . 0.0 114.665 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -127.71 134.62 49.56 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.882 0.849 . . . . 0.0 112.488 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -101.09 145.82 28.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.029 2.932 . . . . 0.0 109.666 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.6 m -125.22 146.36 49.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.733 0.813 . . . . 0.0 110.383 171.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -133.17 127.6 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.127 1.771 . . . . 0.0 109.93 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -134.65 111.69 10.21 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 113.372 176.579 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.55 133.89 42.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.686 0.794 . . . . 0.0 111.2 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.64 160.46 28.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 111.639 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -135.48 153.36 51.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.977 1.311 . . . . 0.0 112.212 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.39 111.02 10.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.747 2.019 . . . . 0.0 110.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mt -87.79 126.28 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.881 1.272 . . . . 0.0 108.607 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.2 tp -113.65 119.65 38.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 110.002 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.86 139.15 52.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.1 -178.6 37.02 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.135 1.35 . . . . 0.0 114.164 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -106.4 5.57 29.59 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.538 1.535 . . . . 0.0 113.736 -176.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.2 m -143.06 -41.71 0.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.913 1.685 . . . . 0.0 111.779 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -138.55 143.25 39.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.962 1.305 . . . . 0.0 111.146 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.27 162.13 33.02 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.615 1.966 . . . . 0.0 110.506 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.61 -170.49 43.13 Favored Glycine 0 N--CA 1.473 1.145 0 N-CA-C 116.552 1.381 . . . . 0.0 116.552 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -144.38 128.29 17.42 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.052 2.141 . . . . 0.0 110.337 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.8 p -133.44 166.32 22.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.127 0.971 . . . . 0.0 112.803 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.22 143.99 29.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.119 1.368 . . . . 0.0 111.752 -169.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -148.09 166.24 28.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.843 1.657 . . . . 0.0 111.204 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -124.58 124.56 42.5 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.675 1.19 . . . . 0.0 111.64 170.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.6 31.4 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 126.417 1.887 . . . . 0.0 112.0 -171.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.1 -38.02 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.458 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -155.07 170.37 21.94 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.726 1.61 . . . . 0.0 110.307 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.89 34.16 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.304 1.842 . . . . 0.0 112.957 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.71 71.4 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.92 1.688 . . . . 0.0 112.331 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -79.28 -39.04 33.96 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.29 -0.881 . . . . 0.0 111.304 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.05 94.2 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.539 -1.351 . . . . 0.0 113.944 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.78 -31.66 69.72 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.84 -44.3 93.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.049 0.84 . . . . 0.0 112.382 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -50.6 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 120.438 -1.414 . . . . 0.0 111.887 173.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.1 -38.36 86.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 113.301 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.88 -22.51 60.75 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.15 -0.969 . . . . 0.0 113.28 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -67.68 -35.92 79.73 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.76 1.164 . . . . 0.0 112.827 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.76 -37.93 39.95 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.81 27.89 9.12 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -58.26 -54.69 44.14 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -164.82 22.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.523 1.929 . . . . 0.0 114.219 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -59.62 -34.06 72.3 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.19 -31.98 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 N-CA-C 117.039 1.576 . . . . 0.0 117.039 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -67.9 -48.4 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 118.903 1.351 . . . . 0.0 113.419 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 37.74 39.36 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.495 1.918 . . . . 0.0 114.353 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.33 173.72 51.82 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.673 1.13 . . . . 0.0 115.669 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.74 120.05 18.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.326 1.451 . . . . 0.0 110.784 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -85.36 139.96 31.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.934 0.894 . . . . 0.0 111.719 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 m -138.86 154.91 48.46 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.404 2.282 . . . . 0.0 109.723 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -144.58 143.25 30.71 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.087 1.312 . . . . 0.0 112.998 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.06 119.2 34.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.535 2.334 . . . . 0.0 111.237 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.61 -26.69 32.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.299 -0.875 . . . . 0.0 113.318 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.26 -18.67 65.3 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -128.88 2.22 5.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.768 -1.56 . . . . 0.0 114.55 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt 50.74 36.12 13.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.626 1.57 . . . . 0.0 112.453 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.95 134.56 54.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.367 -170.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.12 145.69 29.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.922 2.089 . . . . 0.0 109.364 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -128.3 138.69 52.52 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.822 0.849 . . . . 0.0 110.351 173.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.73 130.51 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.801 1.641 . . . . 0.0 108.93 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.6 m -134.67 137.07 43.27 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.296 0.638 . . . . 0.0 112.25 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 C--O 1.248 0.997 0 C-N-CA 128.488 2.715 . . . . 0.0 108.781 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -80.77 135.59 36.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.737 0.815 . . . . 0.0 111.995 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.93 159.36 31.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.033 2.133 . . . . 0.0 111.276 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -135.52 155.21 50.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.304 1.042 . . . . 0.0 113.322 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -134.56 129.83 35.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.941 2.496 . . . . 0.0 110.15 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -112.82 126.54 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.106 1.362 . . . . 0.0 109.78 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.3 tp -106.67 119.39 39.18 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.468 1.507 . . . . 0.0 111.355 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.6 135.96 54.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.214 1.405 . . . . 0.0 110.41 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.28 -175.99 46.03 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -109.75 -35.31 6.22 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.379 1.472 . . . . 0.0 111.972 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 m -77.63 -34.25 53.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.704 1.201 . . . . 0.0 112.263 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.72 149.46 29.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.151 1.381 . . . . 0.0 111.648 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -136.87 155.48 49.72 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.666 1.586 . . . . 0.0 109.509 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.17 -169.35 40.32 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.782 1.473 . . . . 0.0 116.782 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -144.24 142.63 30.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.352 1.861 . . . . 0.0 111.692 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -137.83 155.5 48.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.927 0.891 . . . . 0.0 113.377 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.49 140.09 25.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.831 1.252 . . . . 0.0 110.684 -171.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -152.72 163.55 39.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.66 1.184 . . . . 0.0 111.612 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.05 124.22 51.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.076 1.751 . . . . 0.0 110.512 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 165.11 26.5 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.557 1.543 . . . . 0.0 111.752 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.461 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 5.5 p -66.07 -40.55 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -152.03 169.7 21.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.582 1.553 . . . . 0.0 110.881 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.4 35.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.483 1.913 . . . . 0.0 112.704 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.71 -37.76 65.06 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.892 1.277 . . . . 0.0 112.217 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.461 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 57.5 m -70.93 -43.6 67.88 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.645 -1.285 . . . . 0.0 112.262 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.48 89.94 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.794 -1.191 . . . . 0.0 113.014 171.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.311 0.645 . . . . 0.0 110.908 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -65.96 -45.69 80.85 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.169 0.895 . . . . 0.0 113.204 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.6 -49.16 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.33 -1.481 . . . . 0.0 111.528 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.53 -41.7 94.98 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -67.83 -27.29 66.58 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.295 -0.878 . . . . 0.0 112.657 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.95 -32.41 73.88 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 119.574 -1.954 . . . . 0.0 112.829 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -91.51 -13.46 32.1 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -138.49 22.89 2.73 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -58.06 -70.51 0.14 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.31 23.21 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.111 2.164 . . . . 0.0 112.951 -174.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -57.72 -38.54 75.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.789 0.836 . . . . 0.0 112.665 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.75 -35.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 116.603 1.401 . . . . 0.0 116.603 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.35 -46.34 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.802 1.301 . . . . 0.0 113.016 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.32 41.11 0.22 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.565 1.946 . . . . 0.0 113.831 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.38 174.84 38.74 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 116.491 1.356 . . . . 0.0 116.491 -169.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.05 115.07 17.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.129 1.371 . . . . 0.0 110.611 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -80.23 140.82 36.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.943 0.897 . . . . 0.0 111.712 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.97 152.2 47.49 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.633 1.973 . . . . 0.0 109.769 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -143.23 135.9 27.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.401 1.08 . . . . 0.0 112.401 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -118.1 101.57 8.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.006 2.122 . . . . 0.0 110.399 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.1 -33.45 76.05 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.03 13.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.98 1.312 . . . . 0.0 114.233 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -128.82 12.74 6.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 42.16 44.89 3.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.256 1.822 . . . . 0.0 114.441 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -130.95 139.21 50.01 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.92 0.867 . . . . 0.0 112.724 -172.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.91 145.77 30.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.868 2.867 . . . . 0.0 109.571 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 m -129.64 142.75 50.67 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.987 0.915 . . . . 0.0 109.824 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.11 131.02 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.474 1.509 . . . . 0.0 109.977 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.76 139.66 45.32 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.703 1.201 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 124.891 1.276 . . . . 0.0 111.852 177.22 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.05 132.84 43.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.785 0.834 . . . . 0.0 111.341 172.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.55 155.7 38.59 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.867 1.667 . . . . 0.0 111.345 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -134.72 150.8 50.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.573 1.149 . . . . 0.0 112.017 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -128.43 126.58 40.86 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.2 2.2 . . . . 0.0 109.813 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -107.84 122.18 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.565 1.546 . . . . 0.0 108.6 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.8 119.68 39.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.471 1.908 . . . . 0.0 109.876 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -118.43 133.02 56.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.086 0.955 . . . . 0.0 109.455 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.43 177.97 46.71 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -98.93 -26.16 14.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.382 1.873 . . . . 0.0 111.301 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -75.62 -43.42 48.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.925 1.29 . . . . 0.0 111.954 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -151.87 152.08 32.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -130.83 148.08 52.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.887 1.275 . . . . 0.0 109.503 169.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.8 -173.17 44.54 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 116.765 1.466 . . . . 0.0 116.765 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -146.35 141.21 27.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.301 1.84 . . . . 0.0 111.721 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -137.73 160.63 38.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 112.784 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -143.94 141.24 30.12 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.253 1.421 . . . . 0.0 111.427 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -142.71 166.32 24.99 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.094 2.157 . . . . 0.0 111.451 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.54 113.19 16.45 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.237 1.415 . . . . 0.0 110.429 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.69 163.44 24.28 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 111.621 -169.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 3.8 p -68.23 -39.28 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.349 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -154.98 167.99 28.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 109.748 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.04 15.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.877 2.071 . . . . 0.0 113.092 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.3 -33.23 55.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.785 1.234 . . . . 0.0 112.564 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.413 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 86.8 m -76.39 -40.2 51.6 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.654 -1.279 . . . . 0.0 111.708 172.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.57 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.692 -1.255 . . . . 0.0 112.231 169.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.46 -40.47 96.72 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.317 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.26 -47.83 80.76 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.727 0.694 . . . . 0.0 112.524 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.7 -52.12 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 120.517 -1.365 . . . . 0.0 111.786 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.23 -39.45 82.79 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.51 -20.44 59.98 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -71.82 -43.98 64.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.718 1.145 . . . . 0.0 111.822 170.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.09 -48.64 67.59 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.315 -0.866 . . . . 0.0 112.159 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -88.52 33.07 0.76 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.886 1.674 . . . . 0.0 114.006 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.68 69.15 0.16 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.569 2.748 . . . . 0.0 114.513 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 50.72 44.17 27.8 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.103 1.761 . . . . 0.0 113.855 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -61.99 -37.26 84.14 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.929 0.871 . . . . 0.0 110.974 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.83 -27.4 0.13 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.964 1.546 . . . . 0.0 116.964 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.51 -48.82 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 118.434 1.117 . . . . 0.0 112.849 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 33.49 44.51 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.279 2.231 . . . . 0.0 113.834 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.29 175.75 48.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -75.66 120.81 21.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.951 1.3 . . . . 0.0 109.681 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -88.35 142.49 27.69 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.651 0.781 . . . . 0.0 111.074 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -138.81 153.84 48.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.991 2.116 . . . . 0.0 109.486 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -146.84 137.69 23.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.42 1.464 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.13 112.25 19.92 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.954 2.102 . . . . 0.0 109.53 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' B' ' 49' ' ' THR . 23.7 t70 -74.1 -34.57 64.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.501 0.72 . . . . 0.0 112.68 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.43 -10.3 4.71 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.708 1.603 . . . . 0.0 115.078 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.41 ' H ' ' C ' ' B' ' 47' ' ' ASP . 14.4 t -129.46 11.55 5.83 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.74 1.616 . . . . 0.0 114.201 169.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp 37.57 41.46 0.29 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.514 1.926 . . . . 0.0 114.736 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.26 140.28 52.65 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.311 -0.868 . . . . 0.0 112.135 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.74 145.66 40.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.676 2.39 . . . . 0.0 109.751 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.1 m -132.15 130.54 41.26 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.87 0.868 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.43 131.27 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.262 1.425 . . . . 0.0 109.702 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 95.2 m -134.73 132.53 38.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.035 0.934 . . . . 0.0 111.857 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.487 1.4 0 C-N-CA 124.809 1.243 . . . . 0.0 112.548 173.67 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.04 133.96 44.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.998 0.919 . . . . 0.0 111.368 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -125.02 158.28 34.11 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.918 1.687 . . . . 0.0 111.606 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.44 152.76 51.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.549 1.14 . . . . 0.0 113.093 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -131.47 111.94 12.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.817 2.447 . . . . 0.0 110.529 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -89.63 128.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 109.08 171.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.6 tp -113.73 119.77 38.53 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.467 1.507 . . . . 0.0 112.191 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -115.62 134.64 54.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.358 172.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.77 176.41 46.31 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -99.4 -41.12 7.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.973 1.709 . . . . 0.0 111.282 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 m -78.82 -35.42 44.13 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 112.36 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -151.81 149.97 29.61 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.044 1.337 . . . . 0.0 111.716 -176.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -134.05 160.26 38.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 110.034 172.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 -174.82 46.3 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -146.72 134.79 21.54 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.514 1.926 . . . . 0.0 110.701 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 p -137.81 159.14 42.81 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -141.65 142.8 33.39 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.939 1.296 . . . . 0.0 110.8 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -144.64 164.91 29.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.898 1.679 . . . . 0.0 110.023 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.91 124.04 43.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.059 1.343 . . . . 0.0 110.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.34 166.51 23.3 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.866 1.666 . . . . 0.0 111.645 -173.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 5.9 p -68.07 -40.04 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.436 177.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.82 168.27 24.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.37 1.468 . . . . 0.0 110.524 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -27.01 42.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.655 1.582 . . . . 0.0 112.822 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.3 62.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.018 1.327 . . . . 0.0 111.867 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.403 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 39.4 m -74.22 -42.49 59.67 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.726 -1.234 . . . . 0.0 111.944 173.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.45 84.1 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.655 -1.278 . . . . 0.0 113.151 171.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -63.61 -39.78 95.23 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.668 0.787 . . . . 0.0 111.138 169.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.53 -46.1 84.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.6 0.636 . . . . 0.0 112.46 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.79 -51.78 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.482 -1.386 . . . . 0.0 111.474 173.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.24 -40.18 93.08 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.18 -22.78 63.88 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -73.5 -42.08 62.28 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.359 1.436 . . . . 0.0 111.902 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -74.48 -21.2 59.69 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -128.59 33.08 4.72 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.69 -61.97 1.69 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -162.63 14.86 0.08 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.193 1.797 . . . . 0.0 114.704 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.59 -31.53 72.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.488 0.715 . . . . 0.0 112.524 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.44 -27.99 0.04 OUTLIER Glycine 0 CA--C 1.532 1.125 0 N-CA-C 116.787 1.475 . . . . 0.0 116.787 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.97 -62.16 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.461 1.131 . . . . 0.0 112.615 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 36.84 43.01 0.25 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.549 1.939 . . . . 0.0 114.525 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.8 -173.12 23.69 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.437 1.494 . . . . 0.0 115.836 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -86.38 123.13 31.27 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.897 1.679 . . . . 0.0 112.312 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -93.38 144.65 25.13 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.646 1.179 . . . . 0.0 113.626 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.9 152.89 48.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.431 2.292 . . . . 0.0 109.922 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -143.0 137.43 29.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.463 1.105 . . . . 0.0 112.838 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.08 104.31 10.73 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.871 2.069 . . . . 0.0 110.777 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.14 -37.58 80.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.198 1.399 . . . . 0.0 113.569 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -19.48 15.73 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.039 1.336 . . . . 0.0 114.585 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.96 12.77 6.23 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.787 2.035 . . . . 0.0 113.076 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 40.91 45.02 2.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.171 1.789 . . . . 0.0 114.41 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -131.06 138.05 49.42 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.758 0.789 . . . . 0.0 113.116 -172.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.39 145.75 29.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.655 2.782 . . . . 0.0 109.418 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -134.82 126.32 28.62 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.043 0.937 . . . . 0.0 111.081 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.82 133.28 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 111.76 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 m -134.98 111.9 10.18 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.488 1.43 0 C-N-CA 125.225 1.41 . . . . 0.0 113.325 175.349 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.01 131.57 42.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.773 0.829 . . . . 0.0 111.619 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.71 158.94 32.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.869 1.668 . . . . 0.0 112.128 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -134.36 155.24 50.61 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 112.527 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -133.25 125.43 29.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.13 2.172 . . . . 0.0 110.151 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -106.61 124.76 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.985 1.714 . . . . 0.0 108.467 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.3 tp -113.6 119.63 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 110.599 -171.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.95 115.38 23.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.885 1.274 . . . . 0.0 110.433 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.51 177.64 34.22 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.567 1.079 . . . . 0.0 114.969 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -101.32 -32.3 10.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.395 1.478 . . . . 0.0 112.243 -173.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.0 m -79.76 -41.69 26.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.042 0.937 . . . . 0.0 111.532 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -150.69 146.66 26.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.747 1.219 . . . . 0.0 112.068 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.99 155.7 48.68 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.121 1.768 . . . . 0.0 110.745 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.66 -171.85 44.29 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -145.21 139.7 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.669 1.988 . . . . 0.0 111.258 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -139.97 162.42 35.24 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.226 1.01 . . . . 0.0 113.073 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -143.95 140.89 29.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.092 1.357 . . . . 0.0 111.093 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -142.56 166.28 25.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.712 2.005 . . . . 0.0 111.358 -174.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -125.82 117.31 23.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.857 1.263 . . . . 0.0 110.838 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.43 165.15 23.22 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 125.581 1.553 . . . . 0.0 111.799 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.68 -38.9 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.183 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -155.61 168.69 26.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.559 1.543 . . . . 0.0 109.426 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -29.7 32.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 125.951 1.7 . . . . 0.0 112.771 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.17 64.87 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.093 -1.005 . . . . 0.0 112.171 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.1 m -75.15 -40.79 59.33 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.749 -1.219 . . . . 0.0 111.637 172.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.532 -1.355 . . . . 0.0 113.489 171.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.442 170.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.98 -49.47 74.57 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.243 0.474 . . . . 0.0 112.126 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.22 -52.77 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.228 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -59.98 -38.01 81.32 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -68.31 -21.13 64.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.42 -47.67 54.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.593 1.542 . . . . 0.0 111.192 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -68.48 -28.9 67.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.101 1.36 . . . . 0.0 114.088 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -124.21 31.85 5.68 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.35 -61.04 2.61 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -163.31 15.73 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.909 1.684 . . . . 0.0 114.94 -172.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -64.44 -29.26 70.31 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.09 -24.1 0.05 OUTLIER Glycine 0 N--CA 1.472 1.052 0 N-CA-C 117.2 1.64 . . . . 0.0 117.2 171.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.77 -57.57 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.307 1.054 . . . . 0.0 112.433 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 35.74 41.14 0.1 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.171 2.189 . . . . 0.0 115.007 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.92 179.02 28.67 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.044 1.307 . . . . 0.0 115.014 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.6 136.53 42.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.942 1.297 . . . . 0.0 110.644 170.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -104.31 143.3 33.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.969 1.308 . . . . 0.0 112.056 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.97 155.65 47.86 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.648 1.979 . . . . 0.0 110.581 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -148.92 144.57 26.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.437 1.471 . . . . 0.0 112.721 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.93 114.83 23.79 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.778 2.031 . . . . 0.0 111.402 173.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.74 -11.69 58.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.386 -1.446 . . . . 0.0 114.661 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.49 -20.95 53.53 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.318 2.3 t -129.6 8.27 5.37 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 52.52 39.53 28.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.043 1.737 . . . . 0.0 113.909 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.63 139.71 52.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.706 1.202 . . . . 0.0 110.534 -172.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -108.36 145.52 34.38 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.237 2.215 . . . . 0.0 108.968 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 48.5 m -130.7 126.61 36.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.64 0.776 . . . . 0.0 110.03 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.43 127.98 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.605 1.162 . . . . 0.0 109.744 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -134.83 130.68 36.42 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.689 0.795 . . . . 0.0 113.063 -171.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 125.036 1.335 . . . . 0.0 112.04 169.866 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.13 133.93 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.176 0.99 . . . . 0.0 111.151 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.8 159.1 31.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.074 1.75 . . . . 0.0 111.462 170.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.22 152.55 51.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.678 1.191 . . . . 0.0 112.854 -174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.84 117.87 19.1 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.294 2.238 . . . . 0.0 110.533 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.1 122.47 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.054 1.341 . . . . 0.0 109.319 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 tp -103.29 119.45 38.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.334 1.454 . . . . 0.0 110.979 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.3 145.47 45.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 110.4 169.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.82 -166.68 39.37 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.988 0.804 . . . . 0.0 114.438 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -121.19 -24.74 5.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.996 2.118 . . . . 0.0 112.456 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 m -80.25 -38.0 31.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.408 1.083 . . . . 0.0 111.501 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -151.76 151.01 30.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.541 1.536 . . . . 0.0 111.63 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.41 156.35 48.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.864 1.666 . . . . 0.0 109.715 169.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.1 -168.24 38.47 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 116.638 1.415 . . . . 0.0 116.638 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -146.69 139.16 25.0 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.865 1.666 . . . . 0.0 111.731 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -134.69 161.4 35.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.203 1.001 . . . . 0.0 113.066 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.4 141.34 27.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.184 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.57 166.07 25.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.911 1.685 . . . . 0.0 110.691 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -121.36 123.75 42.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.002 1.721 . . . . 0.0 109.95 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.86 24.74 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.446 1.498 . . . . 0.0 111.137 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.45 -45.23 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.45 170.32 19.89 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.531 1.132 . . . . 0.0 113.152 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.33 8.49 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.709 2.003 . . . . 0.0 113.425 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -41.89 45.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.79 1.636 . . . . 0.0 111.511 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.3 m -71.45 -44.0 65.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.625 -1.297 . . . . 0.0 111.899 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.57 83.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.849 -1.157 . . . . 0.0 113.651 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.03 -32.17 64.92 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 118.728 -0.653 . . . . 0.0 112.545 170.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.39 -46.52 88.25 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.248 0.931 . . . . 0.0 110.926 172.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.54 -52.26 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.264 -0.897 . . . . 0.0 111.181 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.52 -36.96 77.12 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.84 -20.44 65.15 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.98 -43.17 68.61 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 119.825 -1.797 . . . . 0.0 113.287 172.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.03 -21.22 29.52 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.787 1.235 . . . . 0.0 113.912 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 113.67 14.18 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.599 1.56 . . . . 0.0 112.49 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.19 -155.84 0.08 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.257 2.223 . . . . 0.0 109.773 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.71 -9.09 0.19 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.411 2.285 . . . . 0.0 116.805 173.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -56.42 -35.92 68.36 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.228 0.611 . . . . 0.0 112.287 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.9 -6.13 0.03 OUTLIER Glycine 0 N--CA 1.473 1.129 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.57 61.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 123.33 1.538 . . . . 0.0 113.961 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.42 46.42 0.43 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.246 1.818 . . . . 0.0 109.196 169.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.21 -161.75 20.72 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 127.528 2.489 . . . . 0.0 115.832 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.95 148.74 45.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.198 1.399 . . . . 0.0 112.597 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -121.07 138.26 54.27 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.687 1.195 . . . . 0.0 113.328 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -138.85 151.37 46.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.728 1.611 . . . . 0.0 109.965 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -143.46 136.48 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.853 1.261 . . . . 0.0 112.08 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.0 103.9 10.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.011 2.124 . . . . 0.0 110.3 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.34 -31.34 71.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.29 38.4 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 t -128.94 12.68 6.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.828 2.051 . . . . 0.0 113.503 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt 41.42 43.8 2.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.047 1.739 . . . . 0.0 114.57 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -127.88 138.05 52.54 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.824 0.821 . . . . 0.0 112.775 -171.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.21 145.94 33.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.05 2.94 . . . . 0.0 109.49 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -125.63 143.17 51.14 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.756 0.822 . . . . 0.0 110.825 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.26 132.04 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.5 1.92 . . . . 0.0 110.29 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -134.72 139.1 44.94 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.712 1.205 . . . . 0.0 111.7 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.697 172.55 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.464 ' SD ' ' HE3' ' B' ' 50' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.74 133.53 43.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.491 0.716 . . . . 0.0 111.441 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -124.73 157.01 36.72 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.906 1.682 . . . . 0.0 111.759 171.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.36 151.62 51.78 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.831 1.252 . . . . 0.0 112.314 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.02 132.64 47.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.008 2.123 . . . . 0.0 109.855 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.89 125.7 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.664 1.586 . . . . 0.0 108.7 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.82 119.7 40.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.131 1.772 . . . . 0.0 109.899 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -119.87 131.12 55.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.468 1.107 . . . . 0.0 109.13 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.33 -175.08 44.28 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -171.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -110.93 -28.44 8.35 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 112.182 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.1 m -87.9 -34.86 18.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.238 1.015 . . . . 0.0 112.168 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.61 148.19 27.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.715 1.206 . . . . 0.0 112.737 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -134.92 154.37 51.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.915 1.286 . . . . 0.0 110.313 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.25 -169.94 40.65 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -145.28 142.6 29.61 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.065 1.746 . . . . 0.0 111.746 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.6 p -137.62 164.1 29.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.497 1.119 . . . . 0.0 112.903 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 143.21 28.82 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.278 1.431 . . . . 0.0 111.406 -173.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.06 166.31 26.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.445 1.898 . . . . 0.0 111.141 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -123.88 122.63 38.49 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.416 1.087 . . . . 0.0 111.166 170.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.87 165.4 23.94 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.372 1.869 . . . . 0.0 111.457 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.5 -40.04 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.342 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -153.97 169.46 23.42 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.663 1.585 . . . . 0.0 110.492 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.6 -33.07 31.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 126.76 2.024 . . . . 0.0 112.781 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.87 -31.87 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.217 1.007 . . . . 0.0 112.549 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -77.72 -41.27 38.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.911 -1.118 . . . . 0.0 111.46 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.73 92.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.538 -1.351 . . . . 0.0 113.267 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -61.89 -41.82 98.34 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.584 0.753 . . . . 0.0 111.005 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.8 -47.46 83.37 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.68 -50.94 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 120.357 1.435 . . . . 0.0 111.589 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.23 -38.5 83.61 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.19 -20.33 60.91 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 174.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.97 -39.85 72.3 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.409 1.459 . . . . 0.0 112.563 171.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.11 -45.13 58.72 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.247 -0.908 . . . . 0.0 112.773 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.42 29.56 5.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.01 -57.83 11.16 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -167.03 26.43 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.081 2.153 . . . . 0.0 113.31 -173.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -57.75 -38.16 74.88 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.309 0.644 . . . . 0.0 112.717 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.94 -28.08 0.12 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.44 1.495 . . . . 0.0 115.817 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.73 -48.73 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.114 1.457 . . . . 0.0 112.796 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.22 40.11 0.17 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.253 2.221 . . . . 0.0 114.865 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.52 178.25 41.18 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.963 1.268 . . . . 0.0 114.8 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.86 148.64 42.17 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.117 1.367 . . . . 0.0 111.611 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -118.21 139.36 51.4 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.622 1.569 . . . . 0.0 112.751 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -138.87 153.91 48.35 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.847 2.059 . . . . 0.0 109.858 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -144.59 142.54 30.24 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.104 1.362 . . . . 0.0 112.567 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -118.12 121.5 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.284 2.234 . . . . 0.0 111.316 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.6 -28.84 30.58 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.312 -0.868 . . . . 0.0 112.831 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.01 -17.2 64.53 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 36.8 p -128.97 1.94 5.3 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.687 -1.597 . . . . 0.0 114.458 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.464 ' HE3' ' SD ' ' B' ' 1' ' ' MET . 52.4 mmtt 50.06 36.1 11.35 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.492 1.517 . . . . 0.0 112.327 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.1 m -123.01 138.32 54.72 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.826 -169.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -113.24 145.53 40.86 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.549 2.339 . . . . 0.0 109.166 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -130.03 137.03 50.03 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.815 0.846 . . . . 0.0 109.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.9 126.23 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.888 1.675 . . . . 0.0 108.983 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 126.4 28.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 124.346 1.059 . . . . 0.0 111.966 169.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.74 135.13 35.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.032 0.933 . . . . 0.0 111.964 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 158.35 33.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.984 2.113 . . . . 0.0 111.646 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -131.14 155.29 47.26 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.524 1.13 . . . . 0.0 112.419 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.83 133.1 42.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.922 2.489 . . . . 0.0 110.387 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -115.24 126.28 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.253 1.421 . . . . 0.0 109.692 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -109.65 116.33 31.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.16 1.384 . . . . 0.0 111.594 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.06 112.46 19.16 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.479 1.912 . . . . 0.0 110.916 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 168.09 38.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.086 0.851 . . . . 0.0 114.806 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.48 -35.72 58.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.132 1.373 . . . . 0.0 113.072 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -83.15 -33.68 26.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.83 2.052 . . . . 0.0 114.123 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -151.96 147.72 26.89 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.037 1.335 . . . . 0.0 111.42 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -134.48 151.83 51.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.619 1.168 . . . . 0.0 109.329 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.17 -174.03 44.23 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 116.696 1.438 . . . . 0.0 116.696 -177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.71 131.9 19.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.518 1.927 . . . . 0.0 111.766 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -135.87 158.7 43.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.24 139.03 25.52 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.682 1.193 . . . . 0.0 111.265 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 t -143.27 159.93 41.43 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.354 1.861 . . . . 0.0 111.018 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -117.27 120.36 38.0 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.692 1.597 . . . . 0.0 110.298 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.32 167.15 21.86 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.494 1.518 . . . . 0.0 111.694 -172.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.4 -37.28 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.858 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -154.73 172.47 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.428 1.891 . . . . 0.0 111.699 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.69 -32.03 65.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.645 1.178 . . . . 0.0 113.263 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.68 64.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.493 1.117 . . . . 0.0 111.418 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.2 m -68.02 -45.14 74.85 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.016 -1.053 . . . . 0.0 112.063 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.62 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.864 -1.147 . . . . 0.0 113.188 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.21 -40.92 95.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.871 0.868 . . . . 0.0 110.746 170.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.58 -43.93 88.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.264 0.938 . . . . 0.0 112.959 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.61 -49.75 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.357 -1.464 . . . . 0.0 111.622 172.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.17 -44.09 95.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -64.95 -29.5 70.44 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 112.216 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.51 -33.98 73.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.095 1.316 . . . . 0.0 113.695 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -80.33 -20.98 42.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.253 46.9 m-85 -121.21 30.51 6.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.589 1.556 . . . . 0.0 115.08 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -63.12 49.15 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.771 3.228 . . . . 0.0 116.425 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 60.53 3.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.309 1.844 . . . . 0.0 114.222 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -65.33 -38.3 89.71 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.488 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.61 42.04 0.04 OUTLIER Glycine 0 N--CA 1.473 1.129 0 C-N-CA 125.361 1.458 . . . . 0.0 116.097 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.37 -52.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.804 1.302 . . . . 0.0 113.342 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 31.76 52.93 0.23 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.58 2.352 . . . . 0.0 115.395 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.06 168.76 36.73 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-O 121.791 0.662 . . . . 0.0 114.589 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.73 115.47 4.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.831 1.653 . . . . 0.0 110.814 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -80.03 137.01 36.71 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.78 0.8 . . . . 0.0 110.403 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 m -138.99 152.36 47.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.493 1.917 . . . . 0.0 109.571 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -143.9 140.24 29.63 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -118.01 120.93 39.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.452 2.701 . . . . 0.0 112.336 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.93 -31.45 31.3 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.149 1.78 . . . . 0.0 113.614 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.09 64.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.823 0.849 . . . . 0.0 112.541 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -128.61 -6.3 5.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.465 1.506 . . . . 0.0 113.695 -171.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 59.77 45.25 12.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.119 1.368 . . . . 0.0 111.98 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -122.26 136.59 54.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.987 -172.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -107.71 145.71 33.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.518 2.327 . . . . 0.0 110.105 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -129.56 146.24 51.39 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.949 0.9 . . . . 0.0 110.555 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -133.04 121.93 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.181 1.793 . . . . 0.0 109.069 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -134.94 139.06 44.64 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.846 1.258 . . . . 0.0 113.646 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-N 120.273 1.397 . . . . 0.0 111.589 172.284 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -77.43 132.64 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.056 0.942 . . . . 0.0 111.627 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.52 157.37 35.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.046 1.738 . . . . 0.0 111.616 173.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -135.5 152.24 51.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.748 1.219 . . . . 0.0 112.275 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.71 130.82 45.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.114 2.166 . . . . 0.0 110.757 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.0 mt -109.04 112.99 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.878 1.671 . . . . 0.0 108.617 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -93.84 119.67 33.09 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.377 1.871 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -118.29 141.41 48.55 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.79 0.836 . . . . 0.0 110.397 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.89 -174.55 46.76 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.473 1.035 . . . . 0.0 113.867 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -108.36 -34.51 6.78 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.467 1.507 . . . . 0.0 112.151 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.6 m -71.91 -43.57 65.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.782 0.833 . . . . 0.0 111.545 170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -146.68 145.94 30.19 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.376 1.07 . . . . 0.0 112.696 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -130.85 153.22 49.34 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.997 1.319 . . . . 0.0 110.52 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.46 -172.79 44.23 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -144.56 135.53 25.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.566 1.947 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 p -136.86 163.2 31.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.937 0.895 . . . . 0.0 113.057 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.25 141.68 27.61 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.18 1.392 . . . . 0.0 111.212 -172.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -144.34 166.32 25.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.669 1.988 . . . . 0.0 111.794 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.83 127.11 52.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.317 1.447 . . . . 0.0 109.061 172.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.44 163.46 30.42 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.435 1.494 . . . . 0.0 111.718 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.3 -36.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.835 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -155.27 169.67 23.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.858 1.663 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.25 -35.91 60.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.716 1.206 . . . . 0.0 112.719 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.78 70.9 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.894 -1.129 . . . . 0.0 111.759 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -67.89 -45.49 74.33 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.265 1.026 . . . . 0.0 111.708 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.61 97.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.678 -1.264 . . . . 0.0 113.425 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.66 -42.04 98.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.057 0.943 . . . . 0.0 110.983 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.68 -47.32 85.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 80.2 t -59.07 -51.17 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.622 1.101 . . . . 0.0 111.544 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.47 -38.25 83.63 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.297 -0.877 . . . . 0.0 113.328 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.81 -20.47 61.14 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.77 -42.26 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.578 1.081 . . . . 0.0 111.254 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.94 -42.43 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.115 . . . . 0.0 113.661 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -104.76 26.54 9.01 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.646 1.178 . . . . 0.0 114.136 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.91 -56.31 22.23 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -165.43 35.34 0.06 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.963 1.705 . . . . 0.0 112.62 -170.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.49 -25.26 60.37 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.185 0.993 . . . . 0.0 112.311 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.3 0.28 0.25 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 127.663 2.554 . . . . 0.0 115.219 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.86 35.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.095 2.158 . . . . 0.0 111.516 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.44 51.06 0.05 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.559 2.343 . . . . 0.0 112.209 169.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.4 -160.01 22.18 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.366 2.412 . . . . 0.0 114.183 -169.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.9 118.86 16.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.745 1.218 . . . . 0.0 111.26 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -95.74 142.94 27.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.471 1.108 . . . . 0.0 110.031 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m -138.78 153.47 48.43 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.39 1.876 . . . . 0.0 109.263 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -142.94 138.74 30.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.776 1.23 . . . . 0.0 111.378 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.96 110.91 18.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.228 1.811 . . . . 0.0 109.063 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.5 -34.77 67.88 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.618 0.767 . . . . 0.0 112.091 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -9.81 12.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 12.52 5.93 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.754 1.222 . . . . 0.0 113.308 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 39.21 43.39 0.87 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.469 1.907 . . . . 0.0 115.366 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 91.0 m -131.01 140.04 50.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.403 -0.811 . . . . 0.0 112.934 -171.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.82 145.75 37.63 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.326 2.65 . . . . 0.0 110.455 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 53.6 m -128.65 141.44 51.34 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.7 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.49 136.41 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.768 0.827 . . . . 0.0 111.022 170.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 m -134.91 139.63 45.13 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.7 1.2 . . . . 0.0 110.958 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.486 1.337 0 C-N-CA 124.458 1.103 . . . . 0.0 112.466 172.177 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.47 136.25 44.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -124.93 158.2 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.176 1.79 . . . . 0.0 111.141 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -132.87 154.85 49.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.689 1.196 . . . . 0.0 112.514 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -132.68 129.98 39.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.406 2.682 . . . . 0.0 109.956 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.01 123.57 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.346 1.458 . . . . 0.0 109.605 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.7 tp -105.41 117.32 33.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.871 1.269 . . . . 0.0 111.317 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -120.13 116.18 25.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.29 1.836 . . . . 0.0 110.409 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.31 168.54 40.97 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.083 0.849 . . . . 0.0 114.557 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -79.27 -37.13 38.61 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.9 p -84.44 -29.36 26.17 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.69 145.69 25.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.474 1.51 . . . . 0.0 111.632 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.61 155.05 51.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.315 1.446 . . . . 0.0 109.812 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.07 -165.03 35.72 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -143.8 144.05 31.62 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.593 1.557 . . . . 0.0 112.425 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -138.26 158.46 44.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.438 1.095 . . . . 0.0 113.39 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -143.64 140.22 30.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.097 1.359 . . . . 0.0 110.853 -171.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.4 t -145.51 166.05 26.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.759 1.624 . . . . 0.0 110.551 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -118.99 126.82 52.64 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.28 1.432 . . . . 0.0 110.774 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 168.7 18.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.598 1.559 . . . . 0.0 111.666 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.85 -40.47 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.351 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -152.54 173.01 15.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.412 1.485 . . . . 0.0 112.725 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.7 63.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.959 1.303 . . . . 0.0 113.813 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.78 59.75 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 120.099 1.318 . . . . 0.0 111.36 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m -67.77 -46.0 73.28 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.797 -1.19 . . . . 0.0 112.117 170.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.58 83.3 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.407 -1.433 . . . . 0.0 113.654 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.44 -40.07 95.02 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.217 0.607 . . . . 0.0 111.314 170.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.72 -46.39 82.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.664 -0.647 . . . . 0.0 112.142 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.31 -50.46 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.193 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.87 -36.71 77.49 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.14 -25.29 66.1 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 171.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -60.29 -35.87 76.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 119.311 -2.118 . . . . 0.0 112.568 172.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.67 -22.12 20.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.356 1.462 . . . . 0.0 114.46 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -132.92 22.45 4.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.41 -38.61 74.62 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.503 -1.373 . . . . 0.0 113.565 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.83 -68.41 0.08 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.213 1.805 . . . . 0.0 110.707 169.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 44.48 -66.49 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.186 3.794 . . . . 0.0 116.541 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.84 8.57 1.77 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.91 1.243 . . . . 0.0 116.09 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.2 -43.85 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.082 1.441 . . . . 0.0 113.01 -171.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.19 43.03 1.3 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.039 1.735 . . . . 0.0 114.899 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.55 173.92 48.08 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 115.905 1.122 . . . . 0.0 115.905 -170.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 123.3 27.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.38 1.872 . . . . 0.0 111.465 172.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -84.19 144.73 28.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.486 1.115 . . . . 0.0 113.36 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -138.94 153.37 48.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.234 1.813 . . . . 0.0 109.821 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -144.23 136.15 26.17 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.508 1.123 . . . . 0.0 112.911 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.13 102.18 8.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.055 2.142 . . . . 0.0 111.215 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.96 -29.27 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -18.18 12.56 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -128.83 -0.44 5.37 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.104 1.762 . . . . 0.0 114.138 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 52.2 48.86 21.8 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.303 -1.498 . . . . 0.0 113.414 -171.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 m -129.7 139.49 51.34 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.802 0.811 . . . . 0.0 112.998 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -108.82 145.92 34.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.262 3.025 . . . . 0.0 109.845 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -126.11 147.2 49.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.973 0.909 . . . . 0.0 110.22 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -132.97 123.65 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.241 1.817 . . . . 0.0 108.988 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -134.99 139.88 45.23 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.969 1.308 . . . . 0.0 114.087 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.482 1.152 0 CA-C-N 119.646 1.112 . . . . 0.0 110.523 169.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -73.09 131.04 41.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.73 0.812 . . . . 0.0 111.631 174.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.53 158.84 31.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.055 1.742 . . . . 0.0 111.882 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.39 154.7 51.22 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.643 1.177 . . . . 0.0 112.547 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.05 132.44 44.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.635 2.374 . . . . 0.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -114.68 125.83 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.648 1.579 . . . . 0.0 108.49 172.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 65.2 tp -111.0 119.73 40.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.878 1.671 . . . . 0.0 110.245 -175.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -119.57 131.93 55.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.16 0.984 . . . . 0.0 109.282 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -179.74 45.12 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -102.19 -31.43 10.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.859 1.264 . . . . 0.0 112.61 -170.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -76.33 -40.04 52.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.68 1.192 . . . . 0.0 112.499 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.51 146.21 25.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 0.0 112.631 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.73 154.21 48.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.532 1.533 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.51 -174.33 43.84 Favored Glycine 0 N--CA 1.472 1.088 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -147.97 133.45 18.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.957 2.103 . . . . 0.0 110.796 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -141.4 163.76 32.06 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.333 1.053 . . . . 0.0 113.14 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -146.4 142.07 27.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 -170.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -142.57 166.23 25.23 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.928 2.091 . . . . 0.0 111.717 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -127.1 112.35 15.08 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.311 1.445 . . . . 0.0 110.75 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.06 166.14 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 125.764 1.626 . . . . 0.0 111.714 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.406 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 3.4 p -67.85 -40.56 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.375 177.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -156.16 173.39 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.45 1.5 . . . . 0.0 110.26 174.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -28.19 36.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.367 1.867 . . . . 0.0 113.244 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.85 56.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.558 1.143 . . . . 0.0 112.168 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.406 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 58.0 m -75.5 -40.51 57.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.909 -1.12 . . . . 0.0 111.341 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.02 84.96 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.736 -1.228 . . . . 0.0 113.242 170.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -39.76 95.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.636 0.774 . . . . 0.0 111.528 170.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.02 -45.98 86.49 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.695 -0.628 . . . . 0.0 112.637 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.51 -53.97 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 120.803 -1.186 . . . . 0.0 111.024 173.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -58.49 -37.75 76.19 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -67.86 -27.74 66.94 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.204 -0.935 . . . . 0.0 113.189 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -36.41 83.58 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 119.987 -1.696 . . . . 0.0 112.409 172.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -89.78 -17.54 28.01 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.47 10.89 3.22 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 118.443 2.757 . . . . 0.0 118.443 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -70.96 -54.89 9.68 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -153.12 10.49 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -63.13 -32.46 73.85 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.6 -0.688 . . . . 0.0 111.969 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.106 1.602 . . . . 0.0 117.106 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.24 -58.19 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.157 1.479 . . . . 0.0 112.575 -174.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 36.15 41.93 0.15 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.597 1.959 . . . . 0.0 114.679 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 -176.87 28.66 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.089 1.328 . . . . 0.0 114.725 -169.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.39 122.04 21.43 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.437 1.095 . . . . 0.0 110.191 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -94.86 139.58 31.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.358 1.063 . . . . 0.0 111.027 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.1 m -138.84 154.32 48.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.72 2.008 . . . . 0.0 109.391 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -142.85 137.97 29.97 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.766 -1.208 . . . . 0.0 111.734 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.07 112.88 20.8 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.713 2.005 . . . . 0.0 109.47 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.25 -32.98 59.17 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.582 0.753 . . . . 0.0 112.453 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.26 -10.01 9.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -129.47 12.29 5.91 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 114.407 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt 39.76 40.39 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.964 1.706 . . . . 0.0 115.006 -172.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.9 m -126.24 135.53 51.68 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.532 -0.73 . . . . 0.0 112.199 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -102.34 145.55 29.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.954 2.102 . . . . 0.0 109.281 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -127.33 139.45 52.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.134 0.973 . . . . 0.0 109.756 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.06 132.83 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.502 1.121 . . . . 0.0 109.676 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.68 133.13 39.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.908 0.883 . . . . 0.0 112.2 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 127.939 2.496 . . . . 0.0 111.307 -176.65 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -73.08 132.72 43.67 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.854 0.862 . . . . 0.0 111.161 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.95 158.68 33.01 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.134 1.774 . . . . 0.0 111.697 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -132.29 155.26 48.66 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.016 1.326 . . . . 0.0 113.025 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.05 129.29 35.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.883 2.473 . . . . 0.0 110.938 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.22 116.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.568 1.547 . . . . 0.0 109.619 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.1 tp -98.12 118.04 33.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.098 1.359 . . . . 0.0 111.305 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.19 135.27 55.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.724 1.61 . . . . 0.0 109.97 169.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.71 177.52 48.47 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.11 -10.45 47.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.72 1.608 . . . . 0.0 113.26 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.9 m -129.68 -25.91 2.54 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.543 1.537 . . . . 0.0 113.004 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -151.75 141.6 21.97 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.892 1.277 . . . . 0.0 110.704 173.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.81 148.91 50.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.065 1.346 . . . . 0.0 110.167 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.52 -170.41 43.03 Favored Glycine 0 N--CA 1.475 1.297 0 N-CA-C 117.207 1.643 . . . . 0.0 117.207 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -144.1 126.73 16.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.358 1.863 . . . . 0.0 111.955 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -134.41 160.93 36.46 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -146.31 141.24 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.002 1.321 . . . . 0.0 111.253 -170.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -141.96 164.44 30.16 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.238 1.815 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -120.19 117.93 29.18 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.101 1.76 . . . . 0.0 109.681 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.38 160.35 39.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.511 1.525 . . . . 0.0 111.749 -169.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -152.71 171.42 18.24 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.06 1.744 . . . . 0.0 111.805 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -31.09 62.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.656 1.182 . . . . 0.0 113.235 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.94 -36.9 62.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.666 1.186 . . . . 0.0 111.456 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 m -67.11 -45.38 77.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 120.736 -1.228 . . . . 0.0 111.977 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.31 91.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.895 -1.128 . . . . 0.0 113.067 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.4 -40.08 93.06 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.127 0.971 . . . . 0.0 111.062 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.08 -44.58 79.7 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.87 -47.64 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 120.322 -1.486 . . . . 0.0 111.56 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.47 -41.45 94.19 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.431 -0.793 . . . . 0.0 111.763 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.79 -35.47 78.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 119.598 -1.939 . . . . 0.0 112.892 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.23 -21.56 33.36 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.52 19.61 2.91 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.58 -34.26 53.67 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 119.819 -1.801 . . . . 0.0 114.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -161.53 5.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -64.38 -31.63 72.91 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 121.129 -0.982 . . . . 0.0 111.991 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -39.34 0.04 OUTLIER Glycine 0 N--CA 1.473 1.134 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.36 -47.59 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.166 0.983 . . . . 0.0 112.993 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 37.45 43.49 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.229 1.812 . . . . 0.0 113.749 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.57 176.98 41.89 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.802 1.192 . . . . 0.0 115.926 -169.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.12 117.74 19.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.953 1.701 . . . . 0.0 110.907 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -80.26 143.64 33.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.365 1.066 . . . . 0.0 112.236 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -139.01 153.97 48.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.385 1.874 . . . . 0.0 109.817 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -143.93 137.86 28.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.504 1.122 . . . . 0.0 112.799 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.96 104.29 10.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.198 2.199 . . . . 0.0 110.477 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.16 -26.75 65.02 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 113.482 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -27.55 39.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.274 1.429 . . . . 0.0 113.445 172.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -128.76 9.25 5.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 112.709 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt 38.8 43.07 0.69 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.781 2.032 . . . . 0.0 114.07 -170.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -127.43 134.71 49.85 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.098 0.952 . . . . 0.0 112.466 -171.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -103.65 145.89 29.39 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.919 2.888 . . . . 0.0 110.069 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -126.28 145.5 50.39 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.696 0.798 . . . . 0.0 109.883 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.76 125.67 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.223 1.409 . . . . 0.0 109.292 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -134.96 139.85 45.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.022 1.329 . . . . 0.0 113.715 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 124.348 1.059 . . . . 0.0 111.03 169.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.471 ' SD ' ' HE2' ' B' ' 50' ' ' LYS . 51.6 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -76.96 129.44 36.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.504 0.722 . . . . 0.0 111.531 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.51 159.34 30.79 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.881 1.672 . . . . 0.0 111.925 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -135.52 153.54 51.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.89 1.276 . . . . 0.0 112.642 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -132.54 122.1 24.3 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.027 2.131 . . . . 0.0 111.129 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -101.28 115.7 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.273 1.429 . . . . 0.0 108.853 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.4 tp -99.65 119.17 37.66 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.774 1.63 . . . . 0.0 109.578 -175.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.19 111.14 17.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.683 0.793 . . . . 0.0 110.776 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.16 172.88 33.45 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.044 0.83 . . . . 0.0 114.97 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.08 -38.57 22.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.536 1.134 . . . . 0.0 112.876 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -79.68 -35.59 38.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.789 0.835 . . . . 0.0 112.691 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.95 146.17 28.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.126 0.971 . . . . 0.0 113.424 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mttp -130.98 151.0 51.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.894 1.277 . . . . 0.0 110.231 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.86 -172.3 43.16 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -141.68 133.57 27.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.945 1.698 . . . . 0.0 111.314 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.3 p -136.83 165.06 26.84 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.032 0.933 . . . . 0.0 112.867 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.04 146.26 30.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.59 1.556 . . . . 0.0 111.044 -171.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -144.54 165.97 26.49 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.838 1.655 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -128.37 109.88 11.84 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.883 1.273 . . . . 0.0 110.174 174.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.88 167.38 19.05 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.475 1.51 . . . . 0.0 111.786 -169.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -69.95 -34.75 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.943 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -154.16 168.2 27.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.69 1.596 . . . . 0.0 110.528 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.16 50.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.044 1.738 . . . . 0.0 112.628 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.43 66.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 112.661 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -71.89 -43.26 65.67 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.31 -0.869 . . . . 0.0 111.349 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.01 97.71 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.983 -1.073 . . . . 0.0 113.017 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.67 -43.1 94.09 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.415 1.086 . . . . 0.0 111.14 172.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.94 -48.38 82.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -57.66 -50.23 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 119.355 0.98 . . . . 0.0 111.604 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.7 -39.99 90.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.14 -0.975 . . . . 0.0 112.985 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -20.34 61.29 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -69.03 -43.21 75.19 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.625 1.102 . . . . 0.0 111.906 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.43 -37.87 42.73 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -111.78 24.97 12.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.63 -49.19 65.64 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -160.53 32.29 0.16 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.13 1.772 . . . . 0.0 112.925 -171.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.47 -26.17 46.02 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 122.07 0.938 . . . . 0.0 112.35 -174.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.13 -38.91 0.18 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.959 2.695 . . . . 0.0 111.709 176.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.02 38.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.66 2.384 . . . . 0.0 115.794 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.86 -5.97 10.72 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.921 1.688 . . . . 0.0 111.978 169.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.74 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.54 1.643 0 C-N-CA 130.407 3.861 . . . . 0.0 117.981 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.5 115.61 24.1 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.92 1.688 . . . . 0.0 111.737 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -88.09 143.09 27.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.398 1.079 . . . . 0.0 110.953 171.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -138.92 156.08 47.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.09 2.156 . . . . 0.0 110.048 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -143.17 141.72 31.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.035 1.334 . . . . 0.0 112.701 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.12 124.21 47.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.208 2.203 . . . . 0.0 111.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.58 -32.2 28.6 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.57 -17.39 63.91 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.823 -1.173 . . . . 0.0 114.067 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.2 1.91 5.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 112.978 -1.919 . . . . 0.0 113.997 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.471 ' HE2' ' SD ' ' B' ' 1' ' ' MET . 47.6 mmtm 50.12 33.44 7.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.462 1.505 . . . . 0.0 112.385 175.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 75.4 m -121.54 135.27 55.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.383 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.05 145.58 30.29 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.917 2.087 . . . . 0.0 109.387 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 70.3 m -129.93 142.59 50.63 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 0.0 109.349 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.24 135.35 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.276 0.631 . . . . 0.0 111.278 170.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.1 m -134.69 135.88 42.34 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.445 1.098 . . . . 0.0 111.625 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.004 1.322 . . . . 0.0 111.622 169.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.517 0.199 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.14 132.38 43.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 0.0 110.573 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -124.93 155.59 39.33 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.583 1.553 . . . . 0.0 111.203 170.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -132.98 155.37 49.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.088 0.955 . . . . 0.0 113.227 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -134.52 130.27 36.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.347 2.259 . . . . 0.0 109.924 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.0 mt -110.73 130.44 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.104 1.761 . . . . 0.0 108.715 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 tp -113.59 119.49 37.66 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.667 1.587 . . . . 0.0 112.181 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.32 133.2 56.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.281 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.25 174.88 43.7 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.722 1.153 . . . . 0.0 115.047 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -88.74 -37.97 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.858 1.263 . . . . 0.0 113.425 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -100.69 -20.04 15.79 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.444 1.498 . . . . 0.0 113.844 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.69 144.97 24.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.334 1.454 . . . . 0.0 112.172 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -140.62 159.05 43.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.618 1.967 . . . . 0.0 109.853 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.04 -169.87 42.91 Favored Glycine 0 N--CA 1.474 1.19 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.22 146.63 30.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.197 1.799 . . . . 0.0 112.156 173.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -141.01 161.09 38.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.374 1.07 . . . . 0.0 113.543 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.88 144.18 33.7 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.366 1.467 . . . . 0.0 110.69 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -146.17 159.78 42.85 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.535 1.534 . . . . 0.0 110.067 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.41 120.57 40.76 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.306 1.442 . . . . 0.0 109.906 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 164.21 28.63 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.577 1.551 . . . . 0.0 111.268 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.03 -38.28 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.399 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -153.53 171.47 18.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.182 1.793 . . . . 0.0 112.063 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.81 59.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.693 1.197 . . . . 0.0 113.395 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -36.18 59.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.558 1.143 . . . . 0.0 111.301 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -69.61 -44.43 70.71 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.807 -1.183 . . . . 0.0 111.78 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.16 84.77 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.628 -1.295 . . . . 0.0 113.437 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.34 -39.43 93.06 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.65 0.78 . . . . 0.0 110.732 170.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -68.12 -43.3 78.71 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.972 0.805 . . . . 0.0 113.108 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.08 -1.637 . . . . 0.0 111.368 172.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.0 -42.26 93.87 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.539 -0.726 . . . . 0.0 112.893 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.28 -26.21 67.23 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.437 -0.789 . . . . 0.0 112.737 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.17 -37.4 72.19 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.682 1.583 . . . . 0.0 112.953 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.26 -18.93 54.68 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -133.23 24.37 4.16 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -170.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -64.74 -67.75 0.41 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.19 16.18 0.34 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.58 1.552 . . . . 0.0 114.505 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -58.73 -35.58 72.92 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.203 0.601 . . . . 0.0 112.279 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.27 -30.19 0.03 OUTLIER Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.658 1.423 . . . . 0.0 116.658 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.52 -56.03 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.587 1.194 . . . . 0.0 112.934 -173.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 36.68 47.88 0.59 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.62 -174.98 19.94 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.173 1.368 . . . . 0.0 115.679 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -90.98 118.11 30.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.131 2.173 . . . . 0.0 112.078 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -85.71 143.9 28.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.975 1.31 . . . . 0.0 113.341 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -138.9 154.52 48.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.62 1.968 . . . . 0.0 109.564 174.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -142.62 142.01 32.03 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.964 1.257 . . . . 0.0 112.89 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -117.85 114.06 22.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.749 2.019 . . . . 0.0 112.197 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.19 -11.12 59.5 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.01 53.77 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -128.94 9.2 5.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.668 1.987 . . . . 0.0 114.512 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt 55.47 46.38 23.26 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.904 1.682 . . . . 0.0 113.526 172.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.3 m -133.9 142.75 47.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.077 0.951 . . . . 0.0 112.105 -170.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -108.46 145.84 34.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.575 2.75 . . . . 0.0 109.62 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -135.49 114.87 12.52 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.673 0.789 . . . . 0.0 111.23 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.55 131.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.822 1.249 . . . . 0.0 110.744 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -134.88 139.86 45.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.228 1.411 . . . . 0.0 112.257 -172.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.124 0.97 . . . . 0.0 111.546 171.785 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.68 130.91 40.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.815 0.846 . . . . 0.0 112.044 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.66 158.72 32.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 112.052 170.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -135.48 155.22 50.87 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.708 1.203 . . . . 0.0 112.96 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -133.38 133.71 42.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.315 2.246 . . . . 0.0 110.374 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 42.8 mt -114.45 126.39 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.74 1.616 . . . . 0.0 108.478 171.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 tt -113.56 119.36 37.23 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.711 1.604 . . . . 0.0 108.921 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -120.19 111.12 17.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.628 0.771 . . . . 0.0 109.915 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.99 172.03 21.87 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.377 1.465 . . . . 0.0 114.609 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.56 -26.69 65.54 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 18.5 p -126.01 -19.89 4.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 114.031 -173.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -143.27 142.74 31.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.907 1.683 . . . . 0.0 110.683 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -136.23 151.1 49.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.831 1.252 . . . . 0.0 111.523 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.82 -174.83 46.08 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 115.675 1.03 . . . . 0.0 115.675 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -145.77 138.33 25.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.461 1.905 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -137.96 163.34 31.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.008 0.923 . . . . 0.0 112.741 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -142.06 142.14 32.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.434 1.494 . . . . 0.0 110.439 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 12.3 t -137.13 164.31 28.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.154 1.782 . . . . 0.0 111.321 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.25 109.87 11.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.195 1.398 . . . . 0.0 109.897 171.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.89 168.5 17.75 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.368 1.467 . . . . 0.0 111.389 -170.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.47 -36.41 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.596 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -154.9 169.57 23.71 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.533 1.533 . . . . 0.0 110.325 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.23 -34.31 31.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.856 2.062 . . . . 0.0 112.838 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.29 65.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.614 1.166 . . . . 0.0 112.316 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -73.24 -42.68 62.28 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.901 -1.125 . . . . 0.0 111.701 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.06 97.88 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.814 -1.179 . . . . 0.0 113.051 171.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.38 -41.27 93.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 111.164 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.13 -51.5 67.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.671 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.93 -46.84 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 120.645 1.566 . . . . 0.0 111.275 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.93 -39.15 91.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -71.41 -25.71 62.45 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -71.6 -45.52 61.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.72 1.208 . . . . 0.0 112.019 170.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.72 -45.54 74.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.25 37.01 3.31 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.38 -54.21 49.38 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -166.47 32.37 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.991 1.717 . . . . 0.0 112.9 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -64.69 -33.25 75.5 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.098 -1.001 . . . . 0.0 111.609 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.98 23.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.152 1.834 . . . . 0.0 115.417 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.92 36.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.897 1.679 . . . . 0.0 111.314 -172.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -67.23 39.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.968 2.507 . . . . 0.0 113.71 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.47 -167.94 43.69 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.558 2.028 . . . . 0.0 115.081 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.02 124.68 24.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.84 1.256 . . . . 0.0 111.247 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -90.56 144.56 25.66 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.087 0.955 . . . . 0.0 111.645 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 29.0 m -138.88 153.84 48.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.041 2.136 . . . . 0.0 109.118 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -144.32 136.12 26.0 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.78 1.173 . . . . 0.0 111.794 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.08 107.37 13.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.558 1.943 . . . . 0.0 110.512 173.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.91 -27.03 63.49 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.068 0.947 . . . . 0.0 113.46 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -16.67 11.96 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.457 1.903 . . . . 0.0 114.609 171.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.1 p -129.05 0.96 5.25 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.53 1.932 . . . . 0.0 113.778 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt 41.37 36.14 0.49 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.862 1.665 . . . . 0.0 113.865 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -120.5 133.92 55.34 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.204 0.526 . . . . 0.0 111.573 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -102.31 145.51 29.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.477 2.311 . . . . 0.0 108.886 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 69.5 m -128.26 140.78 51.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.15 0.98 . . . . 0.0 110.092 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.7 t -127.21 130.82 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.924 1.289 . . . . 0.0 109.787 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -134.71 122.49 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.743 0.817 . . . . 0.0 112.461 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 128.526 2.73 . . . . 0.0 109.656 -179.25 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.04 132.63 43.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.19 0.996 . . . . 0.0 111.095 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -124.87 160.17 29.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 111.701 170.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.9 155.31 50.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 112.832 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.25 135.82 43.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.495 2.718 . . . . 0.0 110.472 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -118.26 129.1 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.64 1.576 . . . . 0.0 109.697 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.3 tp -109.27 119.36 39.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.679 1.591 . . . . 0.0 111.346 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -120.01 133.54 55.51 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.697 1.599 . . . . 0.0 110.329 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.22 171.02 39.59 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.632 1.111 . . . . 0.0 114.321 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.4 -36.09 46.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.728 1.211 . . . . 0.0 113.809 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 p -94.71 -25.44 16.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.75 1.22 . . . . 0.0 114.164 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -151.75 149.2 28.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.141 1.376 . . . . 0.0 111.869 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.19 159.06 42.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.59 1.556 . . . . 0.0 108.935 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.26 -174.2 44.29 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 116.999 1.559 . . . . 0.0 116.999 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -146.78 132.22 18.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.707 2.003 . . . . 0.0 111.527 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -135.97 160.21 39.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.92 142.31 29.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.923 1.289 . . . . 0.0 110.765 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -146.32 160.95 41.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.703 1.601 . . . . 0.0 110.375 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.77 125.62 54.19 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.318 1.447 . . . . 0.0 109.852 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.25 166.62 23.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.269 1.427 . . . . 0.0 111.542 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -64.14 -44.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.617 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -150.06 168.79 22.86 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.76 1.624 . . . . 0.0 111.673 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.13 -28.92 11.99 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 126.859 2.063 . . . . 0.0 113.108 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.65 43.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.006 1.322 . . . . 0.0 112.084 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -69.95 -42.69 72.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.295 -1.503 . . . . 0.0 111.914 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.88 86.23 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.842 -1.161 . . . . 0.0 113.001 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -62.94 -39.58 95.03 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.297 0.639 . . . . 0.0 110.825 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.17 -45.31 77.37 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.13 0.877 . . . . 0.0 113.147 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.2 -50.03 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 120.355 -1.465 . . . . 0.0 111.114 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -59.4 -41.68 90.0 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -68.97 -20.55 64.18 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -72.95 -47.46 45.28 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.563 -1.336 . . . . 0.0 113.1 170.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -67.4 -34.01 76.37 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 119.252 0.933 . . . . 0.0 112.729 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.25 65.0 m-85 -113.94 32.78 5.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.699 1.6 . . . . 0.0 114.304 -171.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -56.26 -44.18 79.45 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.668 1.187 . . . . 0.0 114.134 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -156.01 -61.13 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.287 1.435 . . . . 0.0 112.175 169.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 49.74 30.31 3.67 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 125.701 1.6 . . . . 0.0 114.093 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.71 21.63 58.44 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.608 1.575 . . . . 0.0 115.201 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -119.38 -36.31 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.018 1.727 . . . . 0.0 111.421 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 33.6 44.63 0.08 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 128.108 2.563 . . . . 0.0 116.756 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.51 45.17 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.2 116.74 7.6 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 0.0 110.771 169.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -80.03 139.51 36.92 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.794 0.807 . . . . 0.0 111.08 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 m -138.9 152.45 47.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.657 1.983 . . . . 0.0 109.344 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -144.6 137.13 26.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -118.08 101.33 8.16 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.096 2.158 . . . . 0.0 110.879 172.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.71 -41.07 76.77 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.248 1.419 . . . . 0.0 113.775 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -19.15 28.48 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.3 1.44 . . . . 0.0 114.849 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.72 12.8 6.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.691 1.996 . . . . 0.0 112.638 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 46.49 40.83 8.72 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.474 1.91 . . . . 0.0 113.62 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 m -125.63 134.76 51.77 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -101.83 145.95 28.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.407 3.083 . . . . 0.0 110.168 173.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.3 m -128.98 146.25 51.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.863 0.865 . . . . 0.0 110.366 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.99 124.67 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 109.752 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -135.02 139.87 45.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.679 1.592 . . . . 0.0 113.355 -176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-N 120.186 1.357 . . . . 0.0 111.496 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -74.54 128.78 36.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.538 0.735 . . . . 0.0 111.13 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.64 158.5 32.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.675 1.59 . . . . 0.0 111.782 172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -135.47 155.36 50.66 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.736 1.215 . . . . 0.0 112.768 -175.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -132.58 111.09 10.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.567 2.347 . . . . 0.0 110.534 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -88.35 128.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 109.406 171.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.7 119.75 40.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.418 1.887 . . . . 0.0 110.663 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.96 134.85 54.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.412 1.085 . . . . 0.0 110.256 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.15 -177.26 40.3 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.203 1.382 . . . . 0.0 114.306 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.3 4.53 26.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.8 1.64 . . . . 0.0 113.715 -171.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.3 m -132.89 -42.84 0.9 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.76 1.624 . . . . 0.0 111.472 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.27 145.44 34.03 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.25 1.42 . . . . 0.0 110.628 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -137.16 156.98 47.68 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 111.33 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.51 -169.69 42.8 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.85 138.23 26.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.969 2.107 . . . . 0.0 111.124 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.5 p -135.34 157.95 45.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.036 0.935 . . . . 0.0 112.318 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 141.41 29.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.895 1.278 . . . . 0.0 111.32 -169.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.99 166.19 25.38 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.302 1.841 . . . . 0.0 111.485 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -129.26 110.13 11.71 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.202 1.401 . . . . 0.0 110.007 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.73 17.01 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.694 1.598 . . . . 0.0 111.246 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.16 -39.27 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.764 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -150.82 169.03 22.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.487 1.515 . . . . 0.0 110.443 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.49 21.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.038 2.135 . . . . 0.0 113.012 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.84 55.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.824 1.249 . . . . 0.0 112.841 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -76.76 -42.43 40.96 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.872 -1.143 . . . . 0.0 111.058 172.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.12 91.1 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.014 -1.054 . . . . 0.0 112.698 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -60.12 -39.64 86.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.038 0.935 . . . . 0.0 111.511 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.68 -43.22 89.93 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.57 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.324 -1.485 . . . . 0.0 111.509 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.33 -41.13 92.93 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.367 -0.833 . . . . 0.0 112.873 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -71.24 -20.53 62.23 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.93 -47.42 52.59 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.1 -1.0 . . . . 0.0 112.672 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -69.98 -39.57 75.88 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.569 1.077 . . . . 0.0 112.794 174.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -103.43 31.28 4.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.724 1.61 . . . . 0.0 113.341 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -54.88 -34.04 62.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.471 1.508 . . . . 0.0 114.873 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -159.6 -71.54 0.08 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.958 1.303 . . . . 0.0 112.619 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 45.51 23.62 0.14 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.196 2.198 . . . . 0.0 115.453 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.47 10.44 17.01 Favored Glycine 0 CA--C 1.546 1.972 0 C-N-CA 126.965 2.221 . . . . 0.0 114.649 -169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -81.09 -51.64 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.04 1.736 . . . . 0.0 109.648 172.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 35.25 42.63 0.11 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.512 2.325 . . . . 0.0 114.645 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.04 53.36 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.338 1.447 . . . . 0.0 116.288 -169.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.3 144.19 40.4 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.718 1.607 . . . . 0.0 111.39 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -109.09 142.02 40.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.323 1.449 . . . . 0.0 112.671 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 156.75 46.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.739 2.016 . . . . 0.0 110.122 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.44 135.78 22.84 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.939 1.245 . . . . 0.0 112.778 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.22 113.95 22.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.563 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.87 -31.82 59.43 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.36 7.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.034 1.334 . . . . 0.0 114.581 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -129.13 12.11 6.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.084 1.753 . . . . 0.0 113.705 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm 37.74 42.31 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.579 1.952 . . . . 0.0 114.524 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -128.76 138.91 52.36 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.544 0.688 . . . . 0.0 112.375 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -101.67 145.71 28.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.615 2.366 . . . . 0.0 109.713 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.8 m -131.18 125.12 32.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.72 0.808 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.46 128.79 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 110.034 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -134.94 139.68 45.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 0.0 112.019 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.305 170.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.03 134.54 44.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 111.187 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.84 159.85 30.11 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.05 1.74 . . . . 0.0 111.438 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -134.88 152.78 52.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.704 1.202 . . . . 0.0 113.085 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -130.81 129.72 42.74 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.382 2.273 . . . . 0.0 110.087 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -110.68 128.15 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.467 1.507 . . . . 0.0 108.609 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.59 119.2 36.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.202 1.401 . . . . 0.0 110.995 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.04 115.19 23.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.879 1.671 . . . . 0.0 110.655 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 177.25 32.53 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.667 1.127 . . . . 0.0 114.618 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.14 -38.5 8.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.273 1.429 . . . . 0.0 111.564 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 m -77.42 -33.57 54.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.367 1.467 . . . . 0.0 112.487 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -151.86 151.77 31.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 111.863 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -136.44 157.09 47.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.233 1.813 . . . . 0.0 109.803 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.39 -173.89 45.87 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.84 136.53 24.28 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.575 1.95 . . . . 0.0 111.482 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -139.0 161.6 36.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.177 0.991 . . . . 0.0 113.66 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 141.52 27.17 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.09 1.356 . . . . 0.0 111.328 -172.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.88 166.05 27.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.118 1.767 . . . . 0.0 110.634 -177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -120.76 126.29 49.76 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.242 1.417 . . . . 0.0 110.867 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.23 167.88 20.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.112 1.765 . . . . 0.0 111.292 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.07 -39.73 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.98 172.39 16.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.3 1.44 . . . . 0.0 112.439 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.22 -31.94 61.87 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.957 1.303 . . . . 0.0 114.069 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -32.41 49.4 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.114 1.325 . . . . 0.0 111.543 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.7 m -68.99 -45.07 71.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.511 -1.368 . . . . 0.0 111.796 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.71 83.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.434 -1.416 . . . . 0.0 113.6 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.52 -42.03 99.25 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.314 0.646 . . . . 0.0 111.06 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.96 -45.77 87.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.643 -0.661 . . . . 0.0 112.215 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.7 -52.82 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 O-C-N 120.947 -1.095 . . . . 0.0 111.314 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -60.47 -35.94 77.09 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -67.67 -26.25 66.1 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 172.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -40.71 96.07 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.125 1.33 . . . . 0.0 112.654 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -83.67 -34.91 24.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.596 1.158 . . . . 0.0 113.395 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -121.43 53.99 1.14 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -116.77 -42.5 2.96 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -145.15 13.53 1.44 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -56.25 -37.28 69.56 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.243 1.02 . . . . 0.0 111.519 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -24.73 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 127.907 2.67 . . . . 0.0 114.801 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.94 -54.51 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.489 1.144 . . . . 0.0 113.806 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 35.42 42.83 0.12 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 126.573 1.949 . . . . 0.0 114.309 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.86 175.13 35.09 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.88 119.04 23.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.096 1.758 . . . . 0.0 112.307 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -81.21 144.63 31.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.291 1.036 . . . . 0.0 113.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 m -138.89 154.68 48.4 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.709 2.404 . . . . 0.0 109.36 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -144.35 138.31 27.74 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.819 1.191 . . . . 0.0 113.154 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.1 104.77 11.17 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.134 2.174 . . . . 0.0 110.91 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.09 -34.8 78.37 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.538 1.535 . . . . 0.0 114.25 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.74 55.92 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -128.96 12.81 6.23 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.765 2.026 . . . . 0.0 113.595 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 43.12 45.24 4.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.938 1.695 . . . . 0.0 114.647 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 m -127.94 137.26 52.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -107.46 145.77 32.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.099 2.96 . . . . 0.0 109.711 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -135.26 122.53 21.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.017 0.927 . . . . 0.0 111.265 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -115.61 124.61 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.691 1.596 . . . . 0.0 110.634 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.9 m -135.06 115.83 13.91 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -169.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 124.776 1.231 . . . . 0.0 111.344 169.556 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ttp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.71 132.77 43.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.567 0.747 . . . . 0.0 111.858 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.7 159.72 30.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.007 1.723 . . . . 0.0 111.657 170.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.52 155.27 50.76 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.655 1.182 . . . . 0.0 112.688 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -133.32 135.26 44.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.502 2.321 . . . . 0.0 110.03 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -119.43 129.87 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.701 1.6 . . . . 0.0 108.846 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 tp -112.61 119.69 39.01 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.221 1.808 . . . . 0.0 110.562 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.64 131.55 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.668 1.187 . . . . 0.0 109.725 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.57 -173.41 43.91 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 115.335 0.894 . . . . 0.0 115.335 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -111.98 -12.62 13.71 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.869 1.668 . . . . 0.0 113.58 -173.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 45.6 m -113.56 -26.72 8.15 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.631 1.573 . . . . 0.0 112.336 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.44 144.48 24.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 111.374 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -131.57 151.61 51.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.022 1.329 . . . . 0.0 109.63 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.57 -173.48 44.42 Favored Glycine 0 N--CA 1.471 0.985 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -147.57 137.19 22.69 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.805 2.042 . . . . 0.0 110.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.0 p -139.32 165.76 26.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.321 1.048 . . . . 0.0 113.03 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.33 145.5 30.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.998 1.319 . . . . 0.0 111.181 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -143.87 166.14 25.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.949 1.7 . . . . 0.0 111.276 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.48 112.84 16.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.326 1.45 . . . . 0.0 109.995 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.7 166.28 21.08 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.311 1.444 . . . . 0.0 111.936 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.402 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 3.9 p -71.26 -38.08 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.55 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -155.24 168.62 26.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.352 1.461 . . . . 0.0 109.495 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -28.22 36.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.899 1.679 . . . . 0.0 112.693 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.26 62.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.746 1.218 . . . . 0.0 111.892 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.402 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 43.9 m -70.93 -42.77 69.42 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.894 -1.129 . . . . 0.0 111.988 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.81 88.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.832 -1.168 . . . . 0.0 113.561 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.25 -39.17 93.85 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 170.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -66.86 -43.8 82.64 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.68 -52.18 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.288 -1.507 . . . . 0.0 111.27 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.07 -35.82 77.97 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.53 -20.42 60.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -72.8 -43.25 63.0 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.546 -1.346 . . . . 0.0 112.274 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.85 -40.82 62.99 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.19 -0.943 . . . . 0.0 112.625 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -110.56 33.54 4.47 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.727 1.611 . . . . 0.0 114.204 -171.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -55.62 -42.91 75.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -155.24 -71.24 0.12 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.5 1.52 . . . . 0.0 111.239 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 48.38 28.62 1.71 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 126.306 1.842 . . . . 0.0 114.846 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.32 2.43 7.13 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.843 2.64 . . . . 0.0 115.672 -171.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.3 -53.34 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.866 1.333 . . . . 0.0 109.851 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.99 42.56 0.46 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.141 2.176 . . . . 0.0 114.23 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.75 54.72 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.589 1.09 . . . . 0.0 114.572 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.58 137.58 46.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.786 1.235 . . . . 0.0 110.743 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -101.78 141.59 34.39 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.713 1.205 . . . . 0.0 112.033 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -138.77 152.77 48.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.87 2.068 . . . . 0.0 109.489 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -143.4 137.17 28.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.964 1.257 . . . . 0.0 111.844 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -117.98 111.77 19.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.781 2.032 . . . . 0.0 109.676 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.57 -34.14 62.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.499 0.72 . . . . 0.0 112.818 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.81 -12.05 6.59 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.769 1.628 . . . . 0.0 114.879 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -129.34 12.63 6.02 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.788 1.635 . . . . 0.0 114.218 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 40.07 41.3 0.9 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.536 1.934 . . . . 0.0 114.954 -174.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.4 m -126.02 136.88 53.48 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.714 -0.617 . . . . 0.0 112.414 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -104.25 145.59 30.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.558 2.343 . . . . 0.0 109.195 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.2 m -131.43 134.44 46.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.968 0.907 . . . . 0.0 109.943 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 t -123.44 127.09 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.403 1.481 . . . . 0.0 109.251 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.78 136.35 42.51 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.85 0.86 . . . . 0.0 112.648 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 124.281 1.032 . . . . 0.0 111.899 170.023 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.03 133.12 44.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.213 1.005 . . . . 0.0 111.412 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 159.26 31.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.216 1.806 . . . . 0.0 111.774 170.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -135.25 155.21 51.03 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.506 1.123 . . . . 0.0 113.106 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -133.37 125.26 28.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.892 2.477 . . . . 0.0 110.783 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.73 124.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.205 1.402 . . . . 0.0 109.346 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -113.66 115.94 28.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.302 1.441 . . . . 0.0 110.968 -171.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.2 112.89 19.65 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.13 1.772 . . . . 0.0 111.587 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 169.52 33.57 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.759 1.171 . . . . 0.0 114.438 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -79.32 -36.67 39.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.498 1.119 . . . . 0.0 113.283 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -88.85 -26.86 21.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.12 1.368 . . . . 0.0 113.916 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.86 147.28 26.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.206 1.402 . . . . 0.0 111.784 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -136.19 158.91 43.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.933 1.693 . . . . 0.0 109.994 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.87 -174.63 46.79 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -144.65 129.23 18.08 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.723 2.009 . . . . 0.0 111.481 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 p -134.85 159.3 41.83 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.73 141.13 29.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 111.064 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -142.98 166.05 25.7 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.036 1.735 . . . . 0.0 110.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -121.19 121.63 38.22 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.064 1.746 . . . . 0.0 109.84 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.7 27.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.384 1.474 . . . . 0.0 111.262 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.1 -40.94 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.764 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -150.08 167.61 26.28 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.803 1.241 . . . . 0.0 112.939 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.21 -28.73 28.35 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.163 1.785 . . . . 0.0 112.657 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.95 -41.91 61.32 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.823 1.649 . . . . 0.0 111.662 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -68.54 -46.32 69.81 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.56 -1.338 . . . . 0.0 112.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.22 90.14 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.96 -1.087 . . . . 0.0 113.376 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.7 -31.2 67.98 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.086 -0.959 . . . . 0.0 112.517 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.67 -48.47 79.15 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.189 1.359 . . . . 0.0 110.984 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.66 -51.38 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.346 -0.846 . . . . 0.0 111.264 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.02 -39.47 89.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.41 -20.43 63.8 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.8 -41.26 68.49 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.972 -1.705 . . . . 0.0 112.605 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -81.17 -25.01 37.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -133.6 117.52 17.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.971 1.308 . . . . 0.0 112.238 -175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -161.86 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.852 0.861 . . . . 0.0 112.877 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.86 10.8 2.01 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.597 1.959 . . . . 0.0 114.04 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -57.46 -35.91 70.77 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.23 1.012 . . . . 0.0 111.44 169.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.97 -36.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 117.724 1.85 . . . . 0.0 117.724 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.86 -47.5 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.922 1.361 . . . . 0.0 113.463 -172.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.12 44.21 0.39 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.417 1.887 . . . . 0.0 114.437 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.88 176.35 24.78 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.14 1.352 . . . . 0.0 116.25 -169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -79.28 133.93 36.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.564 1.945 . . . . 0.0 111.768 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -95.28 144.96 25.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.4 1.48 . . . . 0.0 113.465 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 m -138.95 155.85 47.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.902 1.681 . . . . 0.0 110.04 171.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -143.61 139.87 29.87 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.675 1.19 . . . . 0.0 112.493 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -118.07 106.49 12.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.652 1.981 . . . . 0.0 110.739 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.29 -31.62 72.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.99 1.716 . . . . 0.0 113.205 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.72 -27.06 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.263 1.425 . . . . 0.0 113.286 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -128.75 8.86 5.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.679 1.592 . . . . 0.0 112.737 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 39.74 42.12 0.93 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.536 1.934 . . . . 0.0 114.018 -172.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -129.1 134.58 48.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.994 0.902 . . . . 0.0 112.658 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.15 145.81 28.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.323 2.649 . . . . 0.0 109.904 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -125.4 144.59 50.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.099 0.959 . . . . 0.0 110.092 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 122.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 108.903 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 m -134.71 139.67 45.38 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 124.297 1.039 . . . . 0.0 111.373 169.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.6 tpp . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.79 130.5 35.8 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.018 0.927 . . . . 0.0 111.309 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -124.69 161.8 25.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.109 1.764 . . . . 0.0 111.777 172.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.5 155.28 50.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.936 1.294 . . . . 0.0 112.906 -171.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -134.67 125.2 26.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.366 2.266 . . . . 0.0 110.757 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.8 mt -105.87 128.57 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 109.162 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -110.71 119.77 40.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.188 1.795 . . . . 0.0 110.519 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -119.25 131.73 55.83 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.904 0.882 . . . . 0.0 109.118 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.18 -177.06 48.33 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.233 0.92 . . . . 0.0 114.439 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.8 -29.8 9.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.949 1.3 . . . . 0.0 112.767 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.6 p -76.75 -44.28 33.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.561 1.144 . . . . 0.0 111.128 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.45 146.02 30.43 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.496 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.47 151.97 50.37 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.099 1.36 . . . . 0.0 109.747 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.84 43.58 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -146.3 133.9 20.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.932 2.093 . . . . 0.0 111.156 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -135.21 165.73 24.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 0.0 112.948 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -145.63 145.7 31.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 110.425 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.93 165.36 27.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.958 1.703 . . . . 0.0 111.11 -178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -122.65 119.73 31.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.686 1.595 . . . . 0.0 108.283 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.29 154.95 50.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.781 1.632 . . . . 0.0 112.328 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.37 -35.2 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 122.962 0.505 . . . . 0.0 111.962 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -155.92 172.5 18.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.941 1.696 . . . . 0.0 110.626 172.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.49 49.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.937 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.87 78.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.301 1.841 . . . . 0.0 112.586 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -77.97 -37.05 48.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.638 -0.664 . . . . 0.0 111.448 172.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.8 99.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.421 -1.425 . . . . 0.0 113.645 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.54 -32.89 73.99 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 118.834 -0.603 . . . . 0.0 112.529 170.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.87 -47.55 84.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.827 0.739 . . . . 0.0 112.012 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.11 -52.02 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.136 -0.978 . . . . 0.0 111.645 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.43 -35.44 79.26 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.9 -32.24 70.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.394 -0.816 . . . . 0.0 112.294 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -33.94 73.59 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.79 -1.194 . . . . 0.0 112.685 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -88.02 -29.24 20.86 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.27 7.99 3.96 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 -169.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -68.41 -28.87 67.47 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 122.337 2.335 . . . . 0.0 116.59 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.01 28.2 0.31 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.67 -36.35 78.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.232 1.015 . . . . 0.0 110.897 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.83 -21.61 0.11 Allowed Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.294 1.677 . . . . 0.0 117.294 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.81 -34.43 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 36.48 37.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.078 2.151 . . . . 0.0 114.495 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.86 174.95 50.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.278 1.418 . . . . 0.0 116.287 -169.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.13 135.61 47.74 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.708 1.603 . . . . 0.0 111.281 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -104.07 140.27 38.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.086 1.354 . . . . 0.0 111.481 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -138.89 157.37 46.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.915 2.086 . . . . 0.0 109.71 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -143.66 137.89 28.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.791 1.236 . . . . 0.0 112.44 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.11 109.11 16.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.132 2.173 . . . . 0.0 110.095 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.76 -35.57 70.12 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.36 12.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.199 1.799 . . . . 0.0 115.308 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -129.28 12.1 5.98 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.748 1.619 . . . . 0.0 114.854 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 45.93 32.24 1.28 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.893 1.677 . . . . 0.0 113.721 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 88.7 m -119.13 134.66 55.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.18 -0.95 . . . . 0.0 113.127 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.84 145.7 28.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.048 2.539 . . . . 0.0 110.031 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -126.95 138.37 53.27 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.818 0.847 . . . . 0.0 110.838 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.96 130.08 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.507 1.923 . . . . 0.0 109.384 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 94.4 m -134.66 121.33 20.69 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.683 0.793 . . . . 0.0 111.401 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 126.136 1.774 . . . . 0.0 112.477 177.45 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -72.91 134.38 44.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.996 0.918 . . . . 0.0 111.477 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -124.86 157.61 35.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.369 1.867 . . . . 0.0 111.545 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -132.8 155.25 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.603 1.161 . . . . 0.0 112.533 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.51 133.4 45.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.975 2.51 . . . . 0.0 110.17 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.61 123.88 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.686 1.594 . . . . 0.0 109.327 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.84 117.99 35.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.246 1.418 . . . . 0.0 110.529 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.24 110.97 17.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.917 1.687 . . . . 0.0 110.767 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.0 172.71 31.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.18 0.895 . . . . 0.0 114.897 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -77.64 -33.7 53.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.874 1.27 . . . . 0.0 112.99 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 p -83.83 -29.66 27.12 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.827 1.651 . . . . 0.0 114.068 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -151.87 149.36 28.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 112.472 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -140.75 138.97 34.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.816 1.246 . . . . 0.0 109.521 169.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.02 -170.59 43.74 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.271 1.269 . . . . 0.0 116.271 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -145.74 145.3 30.8 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.671 1.589 . . . . 0.0 113.244 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 p -136.58 161.95 34.48 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 142.67 31.87 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.151 1.38 . . . . 0.0 110.811 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -145.99 166.16 26.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.708 1.603 . . . . 0.0 110.587 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.84 127.77 52.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 110.565 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.22 166.0 24.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.112 1.765 . . . . 0.0 111.18 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -40.43 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.174 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.29 170.02 22.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.167 1.387 . . . . 0.0 110.498 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.67 17.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.006 1.723 . . . . 0.0 113.207 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.9 61.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.241 1.416 . . . . 0.0 111.372 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.2 m -70.47 -43.18 70.34 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.834 -1.166 . . . . 0.0 112.224 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.87 88.58 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.636 -1.29 . . . . 0.0 113.739 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.38 -31.18 67.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.643 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.36 -46.44 86.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.809 1.186 . . . . 0.0 111.194 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.44 -53.12 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 O-C-N 121.225 -0.922 . . . . 0.0 111.01 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -60.11 -38.23 82.36 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.46 -25.29 65.82 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.548 -0.72 . . . . 0.0 112.575 173.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.9 -39.7 87.52 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 119.601 -1.937 . . . . 0.0 112.43 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.55 -26.75 45.74 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -132.28 30.4 4.2 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -62.02 -56.42 19.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -158.05 25.67 0.26 Allowed 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -170.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -55.92 -42.5 76.2 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 122.288 1.042 . . . . 0.0 112.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.57 -31.76 0.07 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.301 1.68 . . . . 0.0 117.301 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.1 -44.1 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 117.998 0.899 . . . . 0.0 112.347 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.56 40.76 0.25 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.865 2.066 . . . . 0.0 114.27 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 169.8 52.33 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.499 0.959 . . . . 0.0 115.499 -169.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.89 121.68 18.55 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 110.279 169.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -82.23 142.27 32.29 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.904 0.882 . . . . 0.0 111.826 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.3 m -139.21 157.88 45.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.378 1.871 . . . . 0.0 109.987 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -143.09 141.32 31.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.867 1.267 . . . . 0.0 113.16 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.97 116.59 27.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.714 2.406 . . . . 0.0 111.904 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.52 -25.67 33.2 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.74 68.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.505 0.722 . . . . 0.0 112.407 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -128.66 1.32 5.5 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.607 1.563 . . . . 0.0 113.511 -171.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt 54.81 38.91 31.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.741 1.617 . . . . 0.0 112.558 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.28 135.94 53.77 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.712 0.768 . . . . 0.0 111.991 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -106.65 145.67 31.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.965 2.506 . . . . 0.0 109.99 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -128.87 144.26 51.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.944 0.898 . . . . 0.0 110.237 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.96 121.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.293 1.837 . . . . 0.0 108.738 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -134.9 139.61 45.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.528 1.131 . . . . 0.0 113.972 -172.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 124.097 0.959 . . . . 0.0 111.198 169.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 132.99 39.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.851 0.86 . . . . 0.0 111.236 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.58 157.22 35.95 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.483 1.513 . . . . 0.0 112.015 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -135.4 153.95 51.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.643 1.177 . . . . 0.0 112.339 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.2 130.62 44.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.39 2.276 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -115.3 123.97 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.655 1.582 . . . . 0.0 108.589 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 tp -113.62 119.3 36.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.685 1.594 . . . . 0.0 109.938 -173.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -120.19 113.41 20.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.182 1.393 . . . . 0.0 109.663 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.5 173.04 34.31 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.945 0.783 . . . . 0.0 114.28 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -88.73 -39.87 13.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.705 1.202 . . . . 0.0 111.68 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.4 m -66.7 -51.35 57.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.194 1.398 . . . . 0.0 111.166 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -145.81 149.13 33.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.963 1.305 . . . . 0.0 112.111 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -130.22 156.58 44.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.198 1.799 . . . . 0.0 109.917 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.21 -178.32 48.26 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 116.912 1.525 . . . . 0.0 116.912 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -148.59 128.75 13.69 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.257 2.223 . . . . 0.0 111.247 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -137.56 163.76 30.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.124 0.97 . . . . 0.0 113.119 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.75 144.5 31.85 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 111.267 -172.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -145.36 166.29 26.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.464 1.906 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.92 131.33 56.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.52 1.128 . . . . 0.0 110.114 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.49 159.87 40.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.995 1.718 . . . . 0.0 112.169 -174.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -69.51 -37.53 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.335 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.67 168.33 27.15 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.911 1.685 . . . . 0.0 110.816 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.83 35.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.174 1.79 . . . . 0.0 112.535 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.31 65.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.855 1.262 . . . . 0.0 113.236 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -81.21 -44.68 17.45 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.215 -0.928 . . . . 0.0 111.358 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.58 99.29 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.754 -1.216 . . . . 0.0 113.361 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.45 -42.33 95.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.843 0.857 . . . . 0.0 110.911 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.94 -43.71 95.05 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.31 -48.71 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.441 -1.412 . . . . 0.0 112.058 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.21 -37.23 86.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.784 -1.198 . . . . 0.0 113.381 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.04 -20.53 60.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -72.68 -35.84 67.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 112.372 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -81.3 -36.85 29.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -115.75 30.03 7.61 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.33 -37.82 62.66 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -158.31 -59.91 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.206 1.802 . . . . 0.0 110.285 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 63.99 -72.83 0.05 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 130.012 3.325 . . . . 0.0 112.895 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.78 16.6 0.12 Allowed Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.514 1.53 . . . . 0.0 114.992 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.01 -29.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 39.39 47.38 1.51 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.696 1.598 . . . . 0.0 113.744 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 160.69 42.65 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.274 0.94 . . . . 0.0 115.157 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.57 121.06 20.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.81 1.644 . . . . 0.0 110.65 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -84.95 140.16 31.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.792 0.837 . . . . 0.0 111.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.95 154.29 48.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.303 2.241 . . . . 0.0 109.201 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -143.95 139.15 28.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.612 1.096 . . . . 0.0 112.421 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -118.04 113.14 21.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.002 2.121 . . . . 0.0 109.776 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 49' ' ' THR . 32.1 t70 -74.23 -33.72 63.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.534 -0.729 . . . . 0.0 112.836 -177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.69 -19.83 2.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.203 2.201 . . . . 0.0 115.191 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.4 ' H ' ' C ' ' B' ' 47' ' ' ASP . 27.2 p -129.01 6.63 5.45 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.531 1.933 . . . . 0.0 113.824 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 38.05 40.19 0.29 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.09 1.756 . . . . 0.0 114.308 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.0 m -126.08 136.9 53.47 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.704 0.764 . . . . 0.0 112.371 -169.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.16 145.58 30.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.216 2.207 . . . . 0.0 109.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 40.4 m -130.14 137.04 49.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.264 1.025 . . . . 0.0 110.212 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.35 122.13 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.914 1.686 . . . . 0.0 109.17 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 86.4 m -134.86 140.05 45.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.408 1.083 . . . . 0.0 112.387 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 118.031 -0.985 . . . . 0.0 111.624 169.751 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.0 133.6 44.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.974 0.91 . . . . 0.0 110.969 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.84 156.71 37.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.787 1.635 . . . . 0.0 111.572 171.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.64 154.65 49.88 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.664 1.185 . . . . 0.0 112.701 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.62 115.57 13.99 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.724 2.41 . . . . 0.0 110.426 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -92.64 127.28 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.913 1.285 . . . . 0.0 108.933 172.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.6 tp -107.84 119.11 38.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.069 1.348 . . . . 0.0 111.142 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.99 134.98 55.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.428 1.491 . . . . 0.0 109.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.91 177.75 47.71 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -98.31 -5.86 32.1 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -128.94 -23.72 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.77 2.028 . . . . 0.0 113.818 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 142.57 23.0 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.006 1.722 . . . . 0.0 110.322 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -139.78 148.02 41.62 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.762 1.225 . . . . 0.0 110.611 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.35 -167.05 40.22 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.549 1.379 . . . . 0.0 116.549 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -144.24 131.63 20.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.328 1.851 . . . . 0.0 111.208 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 p -134.25 159.11 41.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.315 1.046 . . . . 0.0 112.56 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -146.33 140.95 26.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.798 1.239 . . . . 0.0 111.142 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -142.36 165.54 27.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.983 1.713 . . . . 0.0 110.47 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -118.41 122.72 43.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.617 1.567 . . . . 0.0 110.193 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.24 166.26 23.84 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.469 1.508 . . . . 0.0 111.326 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 5.3 p -66.48 -42.3 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.875 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.48 167.87 25.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.208 1.403 . . . . 0.0 112.001 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.2 -30.92 29.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.145 -1.843 . . . . 0.0 112.745 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.28 61.21 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.818 1.247 . . . . 0.0 112.037 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.416 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 34.4 m -69.52 -44.79 70.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.527 -1.358 . . . . 0.0 112.079 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.02 87.47 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.757 -1.214 . . . . 0.0 113.29 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.48 -39.89 94.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.351 0.66 . . . . 0.0 110.95 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -65.52 -45.71 82.43 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.484 -0.76 . . . . 0.0 112.93 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.12 -50.9 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.818 -1.176 . . . . 0.0 111.523 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.38 -40.56 91.28 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.313 -0.867 . . . . 0.0 113.072 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.96 -21.33 64.19 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.45 -43.68 63.42 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.41 1.459 . . . . 0.0 112.776 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -70.8 -27.96 64.29 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.96 31.31 6.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.79 -60.66 2.66 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.79 22.59 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.997 1.719 . . . . 0.0 113.624 -171.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.84 -32.06 72.36 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 121.108 -0.995 . . . . 0.0 111.55 174.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.78 -21.02 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.74 -62.37 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.711 1.255 . . . . 0.0 112.072 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 39.56 41.56 0.77 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.788 1.635 . . . . 0.0 113.709 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.13 -171.31 33.79 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.635 1.588 . . . . 0.0 117.067 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -87.88 118.26 27.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.253 1.821 . . . . 0.0 112.617 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -88.95 143.55 26.79 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.028 1.331 . . . . 0.0 113.513 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -139.01 156.82 46.92 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 127.544 2.337 . . . . 0.0 110.265 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -140.86 141.11 34.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.063 1.301 . . . . 0.0 114.15 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -117.97 118.63 32.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.89 2.876 . . . . 0.0 112.369 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -82.73 -28.22 30.61 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.42 -24.87 58.16 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.959 0.904 . . . . 0.0 112.995 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 p -128.7 -6.52 5.13 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.528 1.531 . . . . 0.0 113.704 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.24 44.21 22.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.585 1.554 . . . . 0.0 110.978 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 m -116.99 138.48 51.53 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.505 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.55 145.87 37.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.283 2.633 . . . . 0.0 109.138 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -133.51 121.77 22.65 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.479 0.712 . . . . 0.0 111.383 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.61 130.59 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.584 1.554 . . . . 0.0 110.16 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -134.85 140.07 45.53 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 127.291 2.237 . . . . 0.0 110.851 169.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -73.05 133.24 44.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.794 0.838 . . . . 0.0 111.448 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.66 158.49 33.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.947 1.699 . . . . 0.0 111.903 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.68 154.01 51.26 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.81 1.244 . . . . 0.0 112.576 -173.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.27 131.63 44.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.315 2.246 . . . . 0.0 109.863 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 45.4 mt -114.86 126.1 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.839 1.656 . . . . 0.0 108.484 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -111.8 119.48 38.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.364 1.466 . . . . 0.0 109.939 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.93 124.36 45.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.073 1.349 . . . . 0.0 109.207 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.15 173.41 45.52 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -83.73 -40.96 18.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.968 1.307 . . . . 0.0 113.491 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -82.43 -30.95 29.77 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.52 146.16 25.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.088 1.355 . . . . 0.0 112.771 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -131.04 154.85 47.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.038 1.735 . . . . 0.0 109.687 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.0 -173.96 42.9 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -145.96 133.92 21.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.634 1.974 . . . . 0.0 110.683 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.6 p -138.95 165.85 26.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.321 1.048 . . . . 0.0 112.833 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 145.31 30.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.381 1.472 . . . . 0.0 111.453 -170.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 166.31 26.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.262 1.825 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.39 120.76 29.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.354 1.061 . . . . 0.0 110.76 169.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.19 168.94 17.14 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.225 1.81 . . . . 0.0 111.405 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.98 -40.34 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.546 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.07 170.09 21.97 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.299 1.44 . . . . 0.0 110.256 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.2 -27.61 22.61 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.299 1.84 . . . . 0.0 113.218 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.54 -34.61 58.53 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.773 1.229 . . . . 0.0 112.152 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.1 m -75.79 -41.47 52.8 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.83 -1.169 . . . . 0.0 111.264 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.42 86.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.774 -1.204 . . . . 0.0 113.332 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.7 -40.16 96.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.753 0.821 . . . . 0.0 111.298 170.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.9 -44.55 89.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.2 -51.48 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 O-C-N 120.27 -1.519 . . . . 0.0 111.518 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.23 -38.24 82.79 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.3 -20.47 59.09 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.74 -43.59 68.55 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.791 -1.193 . . . . 0.0 111.779 169.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -75.93 -36.73 59.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.72 32.31 6.07 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.462 1.505 . . . . 0.0 114.249 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -51.32 -42.87 61.51 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -160.42 -51.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.622 1.969 . . . . 0.0 110.99 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.85 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 129.018 2.927 . . . . 0.0 113.267 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.99 29.27 0.65 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 127.118 2.294 . . . . 0.0 112.515 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.2 -54.12 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.414 1.485 . . . . 0.0 111.517 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 39.52 41.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.077 1.751 . . . . 0.0 113.922 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.48 174.85 54.98 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.818 1.199 . . . . 0.0 115.012 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.5 141.5 44.9 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.214 1.406 . . . . 0.0 111.251 170.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.94 141.95 37.34 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.212 1.405 . . . . 0.0 112.357 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -138.7 153.16 48.5 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.894 2.078 . . . . 0.0 109.705 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -145.33 144.0 30.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.731 1.212 . . . . 0.0 112.402 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.07 114.16 22.69 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.572 1.949 . . . . 0.0 111.427 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.74 -11.37 58.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.455 -1.403 . . . . 0.0 114.398 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.42 -20.11 55.07 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.315 3.0 t -129.71 7.32 5.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt 53.2 39.18 29.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.902 1.681 . . . . 0.0 114.033 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -126.12 139.72 53.15 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.229 . . . . 0.0 110.749 -172.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.27 145.58 39.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.776 2.43 . . . . 0.0 109.108 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.5 m -131.44 135.86 47.49 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.876 0.87 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.98 123.29 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.45 1.5 . . . . 0.0 109.608 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -134.99 139.91 45.25 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 113.07 -172.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.44 169.77 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.13 131.48 42.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.316 0.647 . . . . 0.0 110.812 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.9 159.08 31.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.76 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -134.46 154.91 51.17 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.768 1.227 . . . . 0.0 112.606 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.93 129.56 40.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.686 2.395 . . . . 0.0 110.489 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -111.41 124.76 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.474 1.509 . . . . 0.0 109.123 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 tp -112.14 116.22 30.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.789 1.236 . . . . 0.0 111.069 -172.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.14 114.39 21.88 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.881 1.672 . . . . 0.0 110.758 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.29 170.57 35.63 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.466 1.508 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -86.64 -35.72 19.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -75.69 -46.21 32.58 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.386 0.674 . . . . 0.0 111.61 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -144.4 150.18 37.31 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.348 1.459 . . . . 0.0 111.971 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.23 158.59 42.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.504 1.922 . . . . 0.0 109.905 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.17 -172.49 44.83 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 116.69 1.436 . . . . 0.0 116.69 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.78 133.64 21.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.597 1.959 . . . . 0.0 111.774 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 p -137.41 158.28 44.74 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -143.32 140.47 30.58 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.025 1.33 . . . . 0.0 111.33 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.17 166.17 26.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.915 2.086 . . . . 0.0 111.075 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.24 125.7 44.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.675 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 171.2 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.218 1.807 . . . . 0.0 111.168 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.16 -40.41 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.186 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -151.24 169.9 20.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.523 1.529 . . . . 0.0 112.654 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.13 51.13 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.142 1.377 . . . . 0.0 113.47 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.78 -36.91 49.98 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.3 1.04 . . . . 0.0 111.072 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -68.95 -44.22 73.43 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.674 -1.266 . . . . 0.0 111.794 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.56 82.09 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.775 -1.203 . . . . 0.0 113.41 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.74 -39.35 94.07 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.491 0.716 . . . . 0.0 110.691 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -65.81 -44.85 84.4 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.282 -0.886 . . . . 0.0 112.893 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -51.01 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 120.339 -1.475 . . . . 0.0 111.066 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.77 -39.85 82.19 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -67.58 -26.24 66.18 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.81 -41.71 67.91 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.159 -1.588 . . . . 0.0 112.732 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.07 -34.53 66.3 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -130.75 116.92 18.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.148 1.379 . . . . 0.0 113.217 -170.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -164.18 -39.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -159.8 15.85 0.15 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -56.73 -39.05 73.24 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.163 0.982 . . . . 0.0 110.706 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.62 30.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.229 0 N-CA-C 117.866 1.907 . . . . 0.0 117.866 -174.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.1 -49.16 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 42.13 41.89 2.22 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.657 1.583 . . . . 0.0 114.607 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.85 54.94 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.56 1.076 . . . . 0.0 114.934 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -74.3 123.1 23.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.918 1.287 . . . . 0.0 111.775 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -80.37 141.77 35.06 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 112.398 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -138.92 154.59 48.36 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.043 2.137 . . . . 0.0 109.748 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -142.54 136.61 29.46 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.636 1.107 . . . . 0.0 112.685 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -117.95 102.03 8.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.009 2.124 . . . . 0.0 110.55 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -29.79 69.8 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -20.85 47.86 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -129.02 12.69 6.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.691 1.997 . . . . 0.0 113.067 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt 42.09 44.1 3.0 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.044 1.738 . . . . 0.0 114.432 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.1 m -128.54 135.92 50.05 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.899 0.857 . . . . 0.0 112.591 -171.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -100.53 145.68 28.02 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.979 2.512 . . . . 0.0 109.707 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.5 m -127.04 148.61 50.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.087 0.955 . . . . 0.0 109.994 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.94 122.78 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.086 1.754 . . . . 0.0 108.736 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -134.84 111.6 10.02 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.773 1.229 . . . . 0.0 111.711 169.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -77.03 131.16 38.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.517 0.727 . . . . 0.0 110.964 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.72 158.41 33.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.869 1.668 . . . . 0.0 111.544 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.52 154.23 51.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.706 1.203 . . . . 0.0 112.923 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.62 114.93 13.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.183 2.193 . . . . 0.0 110.986 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -94.76 127.71 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.929 1.291 . . . . 0.0 109.277 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.84 119.8 40.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.622 1.969 . . . . 0.0 110.445 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.3 134.22 55.22 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.209 1.004 . . . . 0.0 108.989 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.33 48.45 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.36 -41.08 5.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.393 1.477 . . . . 0.0 112.016 -173.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 44.3 m -75.29 -31.8 60.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.698 1.199 . . . . 0.0 112.566 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -151.55 146.96 26.25 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.53 1.132 . . . . 0.0 113.255 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -132.61 150.16 52.2 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.272 1.429 . . . . 0.0 109.098 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.13 -174.55 45.96 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -146.76 134.22 20.82 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.993 2.117 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.8 p -136.69 164.95 27.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.856 0.863 . . . . 0.0 113.063 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -146.38 146.15 30.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.151 1.38 . . . . 0.0 111.016 -171.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -145.0 166.04 26.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.165 1.786 . . . . 0.0 111.525 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -126.66 115.02 18.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.193 1.397 . . . . 0.0 111.023 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.12 161.76 34.43 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.722 1.609 . . . . 0.0 111.899 -170.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.18 -36.17 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.86 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -153.62 169.31 23.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.203 1.801 . . . . 0.0 111.23 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.55 62.11 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.456 1.102 . . . . 0.0 113.21 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.06 -35.11 64.25 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.141 -0.974 . . . . 0.0 111.78 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.3 m -69.17 -43.38 74.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 111.549 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.36 94.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.642 -1.286 . . . . 0.0 113.583 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.69 -39.43 91.43 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.052 0.941 . . . . 0.0 110.964 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.51 -42.43 87.36 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.86 -50.37 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.359 -1.463 . . . . 0.0 111.565 171.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -62.76 -34.6 77.57 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.039 -1.038 . . . . 0.0 113.593 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.61 -20.39 60.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.82 -37.86 62.19 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.043 -1.036 . . . . 0.0 112.079 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -77.17 -33.0 56.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 172.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.6 29.79 7.02 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.395 1.478 . . . . 0.0 114.682 -170.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.98 -44.11 63.89 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -158.27 -70.86 0.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 26.94 59.96 0.09 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 128.849 2.86 . . . . 0.0 117.231 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.68 11.6 85.29 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 120.245 -1.534 . . . . 0.0 116.124 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.58 -60.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.949 1.3 . . . . 0.0 111.346 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 36.93 44.04 0.33 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.36 1.864 . . . . 0.0 114.297 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.52 178.95 47.63 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.047 1.308 . . . . 0.0 115.896 -169.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.98 140.84 37.92 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.443 1.497 . . . . 0.0 111.537 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -108.57 142.36 39.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.409 1.484 . . . . 0.0 112.75 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -138.87 154.81 48.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.912 2.085 . . . . 0.0 109.672 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -144.44 145.21 31.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.858 1.263 . . . . 0.0 112.882 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -117.97 116.34 26.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.17 2.188 . . . . 0.0 110.935 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.11 -28.18 61.23 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.124 -0.985 . . . . 0.0 113.585 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.4 59.95 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.346 2.7 t -129.17 10.52 5.83 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 53.97 33.25 17.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.463 1.505 . . . . 0.0 112.381 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -119.98 134.99 55.08 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.963 -170.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.76 145.62 29.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.593 2.357 . . . . 0.0 109.567 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -128.11 137.1 51.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.872 0.869 . . . . 0.0 110.348 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.01 128.16 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.91 1.684 . . . . 0.0 109.603 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.73 139.23 45.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.157 0.983 . . . . 0.0 111.378 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.227 1.011 . . . . 0.0 112.003 171.09 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.08 133.91 44.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.039 0.936 . . . . 0.0 111.705 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.82 160.02 29.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.461 1.904 . . . . 0.0 111.728 170.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -134.0 155.24 50.32 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.997 1.319 . . . . 0.0 112.941 -174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.31 130.44 37.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.748 2.419 . . . . 0.0 110.641 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.3 mt -112.35 125.12 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.45 1.5 . . . . 0.0 109.545 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.8 tp -108.16 119.09 38.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 0.0 111.469 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.02 112.83 19.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.31 1.844 . . . . 0.0 109.774 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.84 176.09 40.69 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.798 0.679 . . . . 0.0 114.798 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -93.21 -37.72 11.93 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.345 1.458 . . . . 0.0 111.517 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -75.05 -36.29 61.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.458 1.503 . . . . 0.0 112.668 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -151.94 150.52 30.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.308 1.443 . . . . 0.0 111.514 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.96 148.24 48.4 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.432 1.493 . . . . 0.0 109.163 169.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -173.14 44.09 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 116.712 1.445 . . . . 0.0 116.712 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -144.17 131.58 20.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.367 1.867 . . . . 0.0 111.348 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -133.61 162.4 32.02 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.232 1.013 . . . . 0.0 113.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.52 144.9 31.56 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.13 1.372 . . . . 0.0 110.928 -171.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -146.59 165.67 28.8 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.461 1.504 . . . . 0.0 110.845 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -122.7 126.14 46.96 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.004 1.321 . . . . 0.0 110.53 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 171.19 14.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.967 1.707 . . . . 0.0 110.971 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.19 -46.68 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.299 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -146.89 166.77 25.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.027 1.331 . . . . 0.0 113.572 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.78 -29.57 28.18 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.669 1.587 . . . . 0.0 113.039 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -41.66 49.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.324 1.05 . . . . 0.0 110.854 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -64.91 -47.18 78.68 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.73 -1.231 . . . . 0.0 112.003 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -38.07 82.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.812 -1.18 . . . . 0.0 113.646 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.87 -37.39 86.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.55 0.74 . . . . 0.0 110.749 171.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.94 -44.62 80.18 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.233 0.924 . . . . 0.0 112.905 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.84 -52.29 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.986 1.266 . . . . 0.0 110.783 173.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.98 -36.32 76.89 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -66.56 -22.29 66.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 173.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -40.99 71.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.023 -1.673 . . . . 0.0 113.007 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -79.23 -25.68 42.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -130.11 111.26 12.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.056 1.343 . . . . 0.0 112.325 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -158.76 -63.55 0.08 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.354 1.062 . . . . 0.0 112.015 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -158.78 17.08 0.19 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.09 1.756 . . . . 0.0 114.796 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.66 -38.73 72.6 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.698 -0.626 . . . . 0.0 111.268 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.37 17.04 0.05 OUTLIER Glycine 0 N--CA 1.471 1.024 0 N-CA-C 117.849 1.9 . . . . 0.0 117.849 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.01 -46.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.15 43.28 1.88 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.986 1.314 . . . . 0.0 113.448 -170.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 172.55 51.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.93 129.82 34.92 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.382 2.273 . . . . 0.0 111.398 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -92.5 144.93 24.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.037 1.335 . . . . 0.0 113.498 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.99 156.47 47.2 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.027 1.731 . . . . 0.0 109.89 169.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -143.4 137.64 28.82 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.563 1.145 . . . . 0.0 112.759 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.14 110.02 17.1 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.151 2.18 . . . . 0.0 110.616 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -29.91 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.782 0.833 . . . . 0.0 113.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.51 -25.35 10.05 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 113.411 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.9 p -128.81 9.47 5.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.669 1.987 . . . . 0.0 112.442 -173.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.7 mmtm 38.16 43.61 0.59 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.526 1.93 . . . . 0.0 114.422 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -126.85 134.67 50.47 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.947 0.879 . . . . 0.0 112.656 -170.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.24 145.77 29.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.688 2.795 . . . . 0.0 110.033 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m -125.54 142.78 51.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.188 0.995 . . . . 0.0 109.973 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.67 124.26 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.302 1.841 . . . . 0.0 109.007 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.72 139.38 45.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.817 1.247 . . . . 0.0 113.291 -173.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 124.108 0.963 . . . . 0.0 111.466 169.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.31 133.43 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 111.296 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -124.72 156.53 37.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.103 1.761 . . . . 0.0 111.804 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -133.62 152.83 51.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 112.585 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -132.77 112.29 11.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.813 2.045 . . . . 0.0 111.129 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.64 123.89 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.315 1.446 . . . . 0.0 108.721 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -113.61 119.25 36.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.213 1.405 . . . . 0.0 110.116 -174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 123.29 42.89 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' B' ' 13' ' ' LYS . . . -152.53 177.7 30.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.693 1.139 . . . . 0.0 114.584 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -101.35 -0.49 35.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.502 1.121 . . . . 0.0 113.341 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -131.31 -41.98 1.08 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.713 2.005 . . . . 0.0 110.783 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -136.32 145.45 45.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.114 1.365 . . . . 0.0 111.703 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HG2' ' H ' ' B' ' 9' ' ' GLY . 97.4 mttt -136.45 156.23 48.89 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.611 1.965 . . . . 0.0 110.203 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.14 -171.91 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 116.577 1.391 . . . . 0.0 116.577 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.59 131.66 23.16 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.49 1.916 . . . . 0.0 110.873 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -136.66 162.63 32.61 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.825 0.85 . . . . 0.0 112.942 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.92 143.74 30.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.457 1.503 . . . . 0.0 111.107 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -144.16 166.16 25.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 111.326 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -119.55 127.48 53.04 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.615 1.566 . . . . 0.0 109.297 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 156.77 48.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.713 1.605 . . . . 0.0 111.709 -171.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.65 -37.52 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.356 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -156.36 173.22 17.2 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.598 1.559 . . . . 0.0 110.898 173.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.06 -30.29 35.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.679 1.992 . . . . 0.0 113.345 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.83 46.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.888 1.275 . . . . 0.0 112.729 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -80.17 -39.21 29.77 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.244 -0.91 . . . . 0.0 111.039 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.56 88.68 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.761 -1.212 . . . . 0.0 112.268 169.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.66 -40.39 96.89 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.401 0.68 . . . . 0.0 111.721 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.49 -42.3 99.4 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.391 0.541 . . . . 0.0 112.34 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.42 -53.84 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.321 -0.862 . . . . 0.0 111.675 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.52 -34.42 77.75 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.19 -25.09 66.78 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.023 -1.048 . . . . 0.0 113.106 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -37.46 84.86 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.704 -1.248 . . . . 0.0 112.942 177.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -91.81 -27.68 17.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -122.35 21.57 10.28 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -53.93 -65.5 0.56 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -162.8 30.33 0.1 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.602 1.961 . . . . 0.0 113.307 -172.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.99 -33.77 76.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.58 23.77 0.02 OUTLIER Glycine 0 N--CA 1.479 1.549 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 173.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -157.55 40.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.496 1.518 . . . . 0.0 111.496 -169.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -66.04 44.58 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 128.763 2.825 . . . . 0.0 114.122 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.95 -168.67 45.05 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 126.981 2.229 . . . . 0.0 116.413 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.57 115.08 10.33 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.083 1.353 . . . . 0.0 111.186 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -83.54 142.3 30.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.046 0.939 . . . . 0.0 111.425 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -138.93 155.47 48.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.29 2.236 . . . . 0.0 109.52 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -143.05 141.61 31.35 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.262 1.392 . . . . 0.0 113.493 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.05 120.05 36.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.194 2.598 . . . . 0.0 111.749 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.67 -29.95 29.61 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.063 -1.023 . . . . 0.0 112.989 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.67 -18.22 58.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.117 1.367 . . . . 0.0 114.19 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -128.89 -5.7 5.06 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt 54.19 40.41 31.65 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.755 1.222 . . . . 0.0 111.72 -174.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -116.52 138.39 51.43 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -170.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -112.36 145.58 39.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.7 2.0 . . . . 0.0 108.987 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.4 m -132.41 133.92 44.5 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.857 0.863 . . . . 0.0 109.888 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -125.32 127.35 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.341 1.456 . . . . 0.0 109.263 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -134.6 139.54 45.42 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -169.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 127.543 2.337 . . . . 0.0 110.683 169.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.28 133.98 36.64 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.032 0.933 . . . . 0.0 112.056 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.01 161.41 26.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.87 2.068 . . . . 0.0 111.815 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -135.56 155.31 50.68 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.869 1.268 . . . . 0.0 113.154 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.56 127.26 45.01 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.58 2.752 . . . . 0.0 109.598 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mt -106.69 125.07 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.581 1.552 . . . . 0.0 109.246 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.69 115.65 29.46 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.78 1.232 . . . . 0.0 110.974 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.14 115.82 24.43 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.599 1.56 . . . . 0.0 111.316 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 172.88 29.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.527 1.537 . . . . 0.0 113.672 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.63 -7.13 58.6 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -135.47 -20.05 1.62 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.996 1.718 . . . . 0.0 112.99 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -151.8 145.58 25.07 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.835 1.654 . . . . 0.0 110.545 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -141.27 152.91 44.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.882 1.273 . . . . 0.0 110.935 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.21 -170.76 43.91 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.36 140.67 30.61 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.935 1.694 . . . . 0.0 112.353 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.94 152.48 51.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.215 1.006 . . . . 0.0 112.927 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -142.38 141.39 32.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 110.696 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -151.31 161.35 42.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.388 1.075 . . . . 0.0 111.357 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.62 121.9 44.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.761 1.624 . . . . 0.0 109.797 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.07 174.04 11.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.726 1.61 . . . . 0.0 110.498 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.25 -44.74 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.929 -0.482 . . . . 0.0 110.371 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -152.02 171.19 18.22 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.96 42.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.31 1.444 . . . . 0.0 113.777 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.86 37.96 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.936 1.244 . . . . 0.0 111.717 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -66.18 -47.19 74.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.114 -1.616 . . . . 0.0 111.598 169.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.56 83.82 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.086 -1.009 . . . . 0.0 113.395 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.42 -40.67 97.82 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.813 0.845 . . . . 0.0 110.984 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.4 -46.52 82.94 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.885 0.766 . . . . 0.0 111.972 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.77 -51.67 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.712 1.142 . . . . 0.0 110.923 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -59.9 -40.59 89.29 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -65.79 -29.17 69.62 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.831 -0.604 . . . . 0.0 112.489 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.81 -44.0 91.3 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.333 1.879 . . . . 0.0 112.072 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -79.28 -25.78 42.43 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.22 29.16 5.18 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 -169.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -99.29 115.56 29.44 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.655 -1.278 . . . . 0.0 110.587 169.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 57.09 24.79 10.07 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -58.44 -42.05 86.45 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-O 123.221 1.486 . . . . 0.0 109.645 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.42 30.01 0.03 OUTLIER Glycine 0 N--CA 1.474 1.217 0 C-N-CA 126.74 2.114 . . . . 0.0 114.824 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.02 40.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.193 1.797 . . . . 0.0 110.492 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.98 44.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.378 2.671 . . . . 0.0 113.989 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.3 -170.73 44.12 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 127.116 2.293 . . . . 0.0 113.946 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.39 115.48 19.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.7 1.2 . . . . 0.0 111.895 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -80.02 136.14 36.52 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.453 0.644 . . . . 0.0 110.753 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -138.97 155.15 48.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.928 2.091 . . . . 0.0 109.815 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -141.94 141.58 32.96 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.941 1.246 . . . . 0.0 113.306 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.07 114.6 23.35 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.344 2.258 . . . . 0.0 112.132 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.52 -11.16 58.66 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.92 -24.67 52.44 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -128.91 11.17 6.04 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.156 1.782 . . . . 0.0 115.169 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 53.52 47.36 24.18 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.701 1.601 . . . . 0.0 113.19 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.0 m -133.46 138.8 46.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.838 0.855 . . . . 0.0 111.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -102.86 145.75 29.32 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.957 2.503 . . . . 0.0 109.043 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -127.81 147.15 50.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 110.026 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -132.92 121.88 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.805 1.642 . . . . 0.0 109.121 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -135.01 111.76 10.05 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.734 169.629 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -74.16 132.42 42.2 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.386 0.675 . . . . 0.0 111.367 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -124.7 159.14 31.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.902 1.681 . . . . 0.0 111.495 170.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -135.02 154.29 51.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.663 1.185 . . . . 0.0 112.646 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.23 130.07 42.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.606 2.362 . . . . 0.0 109.818 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.29 130.64 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.558 1.543 . . . . 0.0 108.81 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.7 tp -112.07 119.71 39.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.313 1.845 . . . . 0.0 109.754 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.3 132.36 56.62 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 172.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.09 -174.34 46.69 Favored Glycine 0 N--CA 1.469 0.888 0 N-CA-C 115.072 0.789 . . . . 0.0 115.072 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -112.53 -34.29 5.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.626 1.57 . . . . 0.0 112.165 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -76.31 -35.03 59.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.226 1.01 . . . . 0.0 112.674 169.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -151.8 152.05 32.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.828 1.651 . . . . 0.0 112.606 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -131.69 155.45 47.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.247 1.819 . . . . 0.0 108.728 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.76 -175.49 43.88 Favored Glycine 0 N--CA 1.476 1.312 0 N-CA-C 117.26 1.664 . . . . 0.0 117.26 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -149.23 132.57 16.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.098 2.159 . . . . 0.0 111.19 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -137.74 166.34 24.22 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 113.318 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 146.02 30.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.325 1.45 . . . . 0.0 111.318 -170.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -146.26 166.05 27.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.639 1.575 . . . . 0.0 111.125 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -124.81 114.08 18.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.496 1.518 . . . . 0.0 109.652 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.13 163.12 31.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.638 1.575 . . . . 0.0 112.575 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.83 -39.1 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.465 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.28 168.28 26.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.058 1.343 . . . . 0.0 111.307 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.32 38.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.553 1.941 . . . . 0.0 112.424 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.07 68.56 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.871 -1.143 . . . . 0.0 112.489 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -72.69 -45.21 59.97 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.883 -1.136 . . . . 0.0 111.706 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.24 92.93 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.61 -1.306 . . . . 0.0 113.472 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.89 -42.54 98.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.405 0.682 . . . . 0.0 110.898 170.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.04 -49.68 73.63 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.76 -51.57 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.817 1.189 . . . . 0.0 111.367 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.85 -35.42 76.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.13 -24.0 60.55 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -39.04 82.54 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.092 -1.63 . . . . 0.0 112.201 170.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -77.98 -33.49 51.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -118.39 24.32 11.01 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.53 116.33 28.35 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.991 -1.693 . . . . 0.0 111.16 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 t70 54.2 26.42 6.68 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -57.59 -40.99 80.28 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 122.568 1.175 . . . . 0.0 109.562 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.71 -23.66 0.09 OUTLIER Glycine 0 CA--C 1.532 1.153 0 N-CA-C 117.6 1.8 . . . . 0.0 117.6 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.48 -48.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.845 1.323 . . . . 0.0 111.847 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 39.22 40.26 0.5 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.317 1.847 . . . . 0.0 113.536 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.71 -179.97 35.98 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.269 1.414 . . . . 0.0 114.92 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.57 140.69 41.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.841 1.256 . . . . 0.0 111.938 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -107.29 140.06 40.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.447 1.499 . . . . 0.0 112.176 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.98 155.35 48.07 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.412 1.885 . . . . 0.0 109.997 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -142.12 137.41 30.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.835 1.254 . . . . 0.0 111.951 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -118.08 112.49 20.28 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.653 1.981 . . . . 0.0 110.084 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.76 -32.88 62.2 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -10.02 11.7 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 12.9 t -129.2 12.51 6.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.034 1.734 . . . . 0.0 114.299 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 40.66 40.62 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.965 1.706 . . . . 0.0 114.947 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -127.47 137.13 52.6 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -104.91 145.72 30.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.222 2.609 . . . . 0.0 109.401 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.0 m -129.88 137.97 50.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.945 0.898 . . . . 0.0 110.274 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.61 130.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.266 1.826 . . . . 0.0 109.271 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.2 m -134.74 117.12 15.65 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.639 0.776 . . . . 0.0 111.759 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.141 1.776 . . . . 0.0 112.886 176.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.384 0.135 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -84.28 131.86 34.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 111.788 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.82 158.81 32.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.794 2.037 . . . . 0.0 112.122 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.16 153.65 49.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.885 1.274 . . . . 0.0 112.795 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.19 130.39 42.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.204 2.202 . . . . 0.0 110.677 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -111.58 127.02 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.533 1.533 . . . . 0.0 109.465 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -113.57 119.4 37.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.112 1.365 . . . . 0.0 111.688 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.81 125.9 49.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 110.469 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.18 174.54 43.02 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.134 1.35 . . . . 0.0 114.153 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -95.23 -32.21 13.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.469 1.108 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 p -77.86 -48.06 17.32 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.095 0.958 . . . . 0.0 111.881 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -145.86 146.58 31.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.165 1.386 . . . . 0.0 112.095 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -132.04 158.97 40.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.726 2.01 . . . . 0.0 110.556 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.08 -174.34 46.71 Favored Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -148.07 133.17 18.28 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.597 1.959 . . . . 0.0 112.202 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -135.37 161.01 36.63 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.55 141.84 27.4 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.277 1.431 . . . . 0.0 111.842 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -145.62 162.42 37.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.889 1.675 . . . . 0.0 111.426 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.79 122.56 43.73 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.761 1.624 . . . . 0.0 109.72 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.99 166.25 23.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.623 1.569 . . . . 0.0 111.791 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.21 -33.38 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.048 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.83 169.73 22.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.626 1.57 . . . . 0.0 108.709 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.0 44.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.793 1.637 . . . . 0.0 112.669 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.94 62.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.157 1.383 . . . . 0.0 112.304 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -71.48 -41.61 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.641 -1.287 . . . . 0.0 111.585 170.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.93 90.64 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.575 1.08 . . . . 0.0 112.834 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.38 -40.4 94.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.953 0.901 . . . . 0.0 111.28 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -64.66 -45.21 87.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 113.157 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.76 -50.92 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.562 -1.336 . . . . 0.0 111.139 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -58.8 -41.98 88.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.44 -29.77 69.98 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.51 -32.01 73.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.195 -1.565 . . . . 0.0 113.356 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -87.09 -23.33 24.94 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 171.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -124.13 15.16 9.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -169.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -90.39 132.13 35.78 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.715 -1.24 . . . . 0.0 110.494 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.51 12.37 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -57.92 -37.12 73.48 Favored 'General case' 0 CA--C 1.558 1.279 0 O-C-N 120.784 -1.198 . . . . 0.0 112.551 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.46 -29.67 0.19 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.911 1.72 . . . . 0.0 116.929 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.91 -42.15 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.055 1.427 . . . . 0.0 112.826 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 39.12 38.05 0.28 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.738 2.015 . . . . 0.0 114.288 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.79 174.34 49.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.976 1.274 . . . . 0.0 115.85 -169.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.84 131.94 35.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.194 1.798 . . . . 0.0 111.483 172.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -95.69 144.99 25.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.778 1.631 . . . . 0.0 112.796 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.96 153.28 48.17 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.912 1.685 . . . . 0.0 109.943 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -144.35 138.5 27.87 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.909 1.284 . . . . 0.0 112.169 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.0 106.77 13.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.878 2.071 . . . . 0.0 110.238 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -69.23 -27.92 65.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.93 0.892 . . . . 0.0 113.289 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -25.27 59.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.548 1.539 . . . . 0.0 113.8 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.4 p -128.73 8.23 5.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.794 1.638 . . . . 0.0 113.018 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 44.9 35.14 1.4 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.015 2.126 . . . . 0.0 113.051 -175.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.4 m -125.5 135.55 52.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 122.213 1.006 . . . . 0.0 113.001 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -108.74 145.96 34.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 129.36 3.064 . . . . 0.0 109.944 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -131.22 147.39 52.59 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.786 -1.196 . . . . 0.0 111.255 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.28 129.0 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.886 2.074 . . . . 0.0 108.896 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -134.44 129.84 35.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.316 1.046 . . . . 0.0 111.608 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.384 1.874 . . . . 0.0 112.415 -176.474 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.52 133.16 41.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.971 0.908 . . . . 0.0 112.291 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.63 156.47 37.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.867 1.667 . . . . 0.0 111.482 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -135.55 154.96 51.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.695 1.198 . . . . 0.0 112.795 -172.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -134.36 129.53 35.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.979 2.112 . . . . 0.0 110.916 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -112.92 127.51 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.485 1.514 . . . . 0.0 109.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -106.69 119.66 39.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.553 1.941 . . . . 0.0 110.781 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.85 117.21 27.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.092 0.957 . . . . 0.0 109.753 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.3 172.15 42.2 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -88.71 -31.59 18.39 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.903 1.281 . . . . 0.0 112.628 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -75.14 -49.06 20.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 0.0 111.65 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -142.7 147.89 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.514 1.126 . . . . 0.0 113.013 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -128.46 151.52 49.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.955 1.302 . . . . 0.0 110.104 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.34 -173.37 43.7 Favored Glycine 0 N--CA 1.474 1.232 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -147.35 136.81 22.69 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.585 1.954 . . . . 0.0 112.045 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -136.55 163.22 31.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.172 0.989 . . . . 0.0 113.554 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -145.1 143.75 30.57 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.195 1.398 . . . . 0.0 111.068 -173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -143.26 166.15 25.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.018 1.727 . . . . 0.0 111.771 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -127.9 110.07 12.2 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.437 1.495 . . . . 0.0 110.469 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.18 157.51 42.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.552 1.541 . . . . 0.0 111.82 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.24 -33.79 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.781 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -156.24 169.8 23.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.565 1.946 . . . . 0.0 110.793 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.69 62.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.577 1.151 . . . . 0.0 113.246 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.76 61.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.506 1.122 . . . . 0.0 112.069 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -72.37 -40.83 67.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.211 1.004 . . . . 0.0 111.549 170.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.32 94.21 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.529 -1.357 . . . . 0.0 112.865 170.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.55 -40.11 95.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.549 0.74 . . . . 0.0 112.146 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.5 -44.54 95.88 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.727 0.694 . . . . 0.0 111.952 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.54 -51.33 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.452 -0.78 . . . . 0.0 111.891 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -62.91 -35.79 81.24 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.691 -1.256 . . . . 0.0 113.8 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.78 -20.6 66.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.709 -1.244 . . . . 0.0 113.422 171.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.46 38.66 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.468 1.031 . . . . 0.0 112.637 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -79.44 -26.72 41.73 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.4 26.05 8.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.333 1.453 . . . . 0.0 114.409 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -50.57 -38.7 46.67 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.56 -60.12 0.05 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.489 1.515 . . . . 0.0 111.883 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m120 50.51 29.86 4.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.326 2.251 . . . . 0.0 115.05 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.18 32.71 9.82 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 126.991 2.234 . . . . 0.0 114.287 -170.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 -42.48 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.486 1.914 . . . . 0.0 111.485 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 35.81 46.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.338 2.255 . . . . 0.0 115.069 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.5 165.83 51.67 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.98 0.8 . . . . 0.0 114.983 -171.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.41 118.71 11.83 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 110.889 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -80.9 143.16 32.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.617 0.767 . . . . 0.0 111.783 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.1 m -139.02 156.72 46.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.276 2.23 . . . . 0.0 109.338 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -144.82 142.16 29.73 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.925 1.239 . . . . 0.0 113.3 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -118.16 117.27 28.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.195 2.198 . . . . 0.0 111.106 171.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.54 -25.79 38.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.89 -15.19 62.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.334 4.0 t -129.18 10.3 5.8 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 169.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt 52.26 35.15 16.2 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.458 -1.401 . . . . 0.0 113.416 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.35 133.99 55.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.413 0.625 . . . . 0.0 111.729 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.39 145.7 29.59 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.364 2.266 . . . . 0.0 109.353 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 52.2 m -130.49 142.83 50.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.927 0.891 . . . . 0.0 110.359 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.42 129.23 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.191 1.796 . . . . 0.0 109.165 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -134.56 126.75 29.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.851 0.86 . . . . 0.0 111.508 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.917 1.687 . . . . 0.0 112.378 178.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.13 136.48 44.84 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.94 0.896 . . . . 0.0 111.695 173.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.96 159.23 31.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.471 1.908 . . . . 0.0 111.248 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -133.88 155.17 50.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.721 1.208 . . . . 0.0 113.051 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.47 124.46 27.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.888 2.475 . . . . 0.0 110.463 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -101.53 125.67 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.242 1.417 . . . . 0.0 109.448 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 tp -110.28 114.44 27.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.652 1.181 . . . . 0.0 111.74 -173.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.29 130.98 54.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.471 1.508 . . . . 0.0 108.836 169.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.24 171.04 44.0 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 115.76 1.064 . . . . 0.0 115.76 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -77.25 -21.01 54.37 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.14 -19.08 6.13 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.381 1.472 . . . . 0.0 114.433 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -151.49 145.95 25.55 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.02 1.328 . . . . 0.0 111.429 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -137.99 156.06 48.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 109.977 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.31 -163.84 35.22 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -143.94 141.94 30.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.384 1.474 . . . . 0.0 112.656 171.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -138.11 160.54 39.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.369 1.067 . . . . 0.0 113.601 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -143.83 140.94 30.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.245 1.418 . . . . 0.0 110.863 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 t -145.03 166.16 26.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 0.0 110.509 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -117.16 127.42 54.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.576 1.55 . . . . 0.0 110.788 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 167.49 21.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.627 1.571 . . . . 0.0 111.558 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.28 -42.72 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.82 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -149.98 168.16 24.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.298 1.439 . . . . 0.0 112.973 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.01 53.54 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.803 1.241 . . . . 0.0 113.213 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.58 61.49 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.099 -1.001 . . . . 0.0 111.326 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -66.52 -47.57 72.52 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.686 -1.258 . . . . 0.0 112.143 170.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.53 83.53 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.639 -1.288 . . . . 0.0 113.595 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.493 0.717 . . . . 0.0 110.714 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.78 -48.8 75.45 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.643 0.656 . . . . 0.0 112.212 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.42 -50.41 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.602 1.092 . . . . 0.0 111.387 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.97 -37.48 82.56 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.67 -23.5 65.33 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.46 78.51 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.157 -1.59 . . . . 0.0 113.415 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -86.6 -23.83 25.6 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -127.67 111.17 13.42 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.037 1.335 . . . . 0.0 111.75 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -171.66 -155.76 0.1 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.766 2.027 . . . . 0.0 109.842 -169.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.09 -6.31 0.06 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.913 2.485 . . . . 0.0 117.184 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -61.0 -35.72 77.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.285 0.634 . . . . 0.0 112.628 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.04 0.17 0.03 OUTLIER Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.76 65.37 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.542 1.537 . . . . 0.0 113.049 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -75.82 48.43 0.47 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.304 1.841 . . . . 0.0 108.84 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.43 -166.87 21.1 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 126.971 2.224 . . . . 0.0 117.475 -169.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.41 146.82 51.74 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.416 1.486 . . . . 0.0 111.661 175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -121.21 133.26 55.16 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.547 1.155 . . . . 0.0 114.087 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 t -139.26 166.71 23.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.773 0.829 . . . . 0.0 111.467 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -149.81 139.42 21.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.985 1.314 . . . . 0.0 112.776 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -118.03 101.47 8.28 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.007 2.123 . . . . 0.0 110.271 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.23 -33.19 74.96 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.02 -20.04 8.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.277 1.431 . . . . 0.0 114.546 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -128.82 8.76 5.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.088 1.755 . . . . 0.0 113.509 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 44.87 46.71 9.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.162 1.385 . . . . 0.0 114.173 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -125.6 136.25 53.06 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.594 0.711 . . . . 0.0 112.656 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -104.19 145.8 29.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.597 2.759 . . . . 0.0 109.62 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -125.72 147.05 49.49 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.741 -0.599 . . . . 0.0 110.502 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -130.42 127.26 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.892 1.677 . . . . 0.0 109.744 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -134.96 139.89 45.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 127.634 2.374 . . . . 0.0 109.846 169.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.12 131.61 35.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.637 0.775 . . . . 0.0 112.269 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -124.66 159.91 29.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.732 2.013 . . . . 0.0 111.656 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -135.49 155.16 50.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.527 1.131 . . . . 0.0 113.054 -173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.04 114.93 13.72 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.565 2.346 . . . . 0.0 110.607 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -95.55 125.99 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.902 1.281 . . . . 0.0 109.025 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -110.45 119.55 39.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.047 1.739 . . . . 0.0 110.263 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.88 129.69 54.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.613 1.165 . . . . 0.0 109.379 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.47 -171.47 43.77 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.12 0.866 . . . . 0.0 114.565 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -111.98 -34.93 5.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.823 1.249 . . . . 0.0 113.676 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 36.4 p -74.44 -34.59 63.24 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.25 -0.906 . . . . 0.0 112.781 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 147.06 26.28 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.303 1.441 . . . . 0.0 112.713 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -133.17 150.3 52.01 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.117 1.367 . . . . 0.0 109.838 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.61 44.26 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -145.47 131.86 19.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.947 2.099 . . . . 0.0 110.286 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.3 p -137.15 160.98 37.4 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.939 0.896 . . . . 0.0 112.352 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.49 143.97 29.32 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.03 1.332 . . . . 0.0 111.3 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -143.38 166.14 25.59 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.411 1.884 . . . . 0.0 111.91 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.74 111.23 13.45 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.254 1.422 . . . . 0.0 110.59 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.84 166.57 18.81 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.994 1.718 . . . . 0.0 112.204 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.15 -36.82 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -151.27 163.58 38.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.766 2.027 . . . . 0.0 108.795 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.62 -25.45 7.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.192 1.397 . . . . 0.0 113.786 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.48 71.01 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.658 1.583 . . . . 0.0 111.922 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -72.43 -40.7 66.91 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.183 -0.948 . . . . 0.0 111.322 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.3 89.95 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.643 -1.286 . . . . 0.0 113.979 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.92 -32.73 67.66 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.84 -47.09 87.94 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 118.933 0.788 . . . . 0.0 111.606 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.81 -52.54 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 121.239 -0.913 . . . . 0.0 111.754 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.95 -39.05 73.82 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 112.743 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.21 -20.39 63.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.57 -38.01 89.55 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.199 1.363 . . . . 0.0 112.581 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.95 -26.21 27.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.791 1.236 . . . . 0.0 113.91 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.66 28.06 8.54 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -63.31 73.02 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 127.379 2.272 . . . . 0.0 113.544 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 66.6 -59.68 0.35 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.818 2.847 . . . . 0.0 111.768 -169.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 38.88 37.6 0.22 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 169.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.05 10.66 71.36 Favored Glycine 0 N--CA 1.474 1.226 0 O-C-N 119.366 -2.084 . . . . 0.0 115.783 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.91 -41.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 118.584 1.192 . . . . 0.0 113.659 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 39.81 34.23 0.16 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.408 2.283 . . . . 0.0 116.333 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.49 165.0 47.73 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.464 1.031 . . . . 0.0 115.442 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.26 127.06 31.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.457 1.503 . . . . 0.0 110.422 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -90.47 140.79 29.39 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.752 0.821 . . . . 0.0 111.133 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -138.75 153.81 48.49 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.055 2.142 . . . . 0.0 109.114 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -143.16 139.14 30.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.174 1.352 . . . . 0.0 112.344 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.05 113.13 21.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.654 1.982 . . . . 0.0 109.794 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.98 -38.16 75.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.333 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.89 -11.24 7.28 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.722 . . . . 0.0 115.244 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -129.37 12.41 5.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.621 1.568 . . . . 0.0 114.395 169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 39.44 40.52 0.59 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.366 1.867 . . . . 0.0 115.046 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.6 m -125.91 136.09 52.64 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.69 -0.631 . . . . 0.0 112.161 -170.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.07 145.64 28.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.972 2.109 . . . . 0.0 109.426 173.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -127.38 137.79 52.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 110.026 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.43 127.14 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.228 1.411 . . . . 0.0 109.197 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -134.89 137.12 42.91 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.198 0.999 . . . . 0.0 112.001 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.439 170.1 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.399 0.142 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.95 132.93 44.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.874 0.87 . . . . 0.0 111.048 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.71 156.15 38.1 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.893 1.677 . . . . 0.0 111.443 170.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -135.59 155.31 50.66 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.468 1.107 . . . . 0.0 113.212 -172.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.63 134.08 40.82 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.182 2.193 . . . . 0.0 111.149 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -116.18 120.14 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.629 1.572 . . . . 0.0 109.939 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -99.21 119.46 37.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.08 1.752 . . . . 0.0 111.189 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.87 140.64 49.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.98 1.312 . . . . 0.0 110.187 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.67 178.61 45.62 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.035 0.826 . . . . 0.0 114.229 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -96.11 -37.03 10.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.291 1.436 . . . . 0.0 111.683 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 m -83.52 -29.8 27.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.342 1.457 . . . . 0.0 113.005 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -151.86 149.21 28.72 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.455 1.102 . . . . 0.0 112.475 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -135.89 155.61 50.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.331 1.453 . . . . 0.0 109.107 169.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.74 -172.83 43.85 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.15 136.64 24.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.154 1.782 . . . . 0.0 112.455 177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 p -134.65 160.06 39.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.143 0.977 . . . . 0.0 113.405 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.4 28.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.936 1.294 . . . . 0.0 110.857 -173.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.73 166.08 25.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.032 1.733 . . . . 0.0 111.361 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.06 117.99 26.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.993 1.717 . . . . 0.0 109.211 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.14 166.4 23.48 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.065 1.346 . . . . 0.0 111.249 -170.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 7.0 p -75.16 -25.59 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.402 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -163.32 165.09 24.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.599 1.56 . . . . 0.0 108.385 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -29.65 61.19 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.565 1.546 . . . . 0.0 112.506 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.7 52.31 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.244 1.417 . . . . 0.0 111.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 29.6 m -65.54 -46.05 81.04 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.596 -1.315 . . . . 0.0 112.197 172.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.43 91.47 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.175 -0.953 . . . . 0.0 113.052 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.12 -41.38 96.59 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.088 0.555 . . . . 0.0 111.408 171.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.36 -47.24 80.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.338 0.972 . . . . 0.0 112.665 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -55.81 -51.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.313 0.96 . . . . 0.0 110.552 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -59.32 -39.63 83.69 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.57 -22.83 67.08 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.25 -42.54 79.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.112 -1.618 . . . . 0.0 112.748 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -84.0 -19.83 33.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.682 1.193 . . . . 0.0 114.138 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -130.5 108.39 9.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.118 1.367 . . . . 0.0 112.394 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -171.17 -157.11 0.12 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.287 2.235 . . . . 0.0 109.925 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.06 -3.6 0.85 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -55.82 -34.18 65.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.481 0.712 . . . . 0.0 112.09 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.59 -15.98 0.02 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 117.781 1.873 . . . . 0.0 117.781 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.17 -50.48 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 119.281 1.541 . . . . 0.0 115.028 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 35.56 42.72 0.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.884 2.074 . . . . 0.0 114.33 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.19 172.57 54.73 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 116.33 1.292 . . . . 0.0 116.33 -169.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.55 116.06 13.69 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.741 1.616 . . . . 0.0 110.329 170.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -80.44 142.35 34.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.013 0.925 . . . . 0.0 112.194 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -138.95 153.07 48.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.025 2.13 . . . . 0.0 109.202 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -144.03 134.6 24.82 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.356 1.063 . . . . 0.0 112.391 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -118.16 102.24 8.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.693 1.997 . . . . 0.0 110.75 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.78 -31.18 71.65 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -19.85 15.05 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 114.018 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -128.79 12.73 6.31 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.829 2.052 . . . . 0.0 112.87 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 41.45 43.38 2.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.346 1.858 . . . . 0.0 114.765 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.9 m -129.75 137.46 50.56 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.816 0.817 . . . . 0.0 112.271 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.46 145.61 28.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.192 2.597 . . . . 0.0 110.074 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -129.17 141.0 51.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.035 0.934 . . . . 0.0 109.913 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.0 t -132.61 129.45 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.392 1.477 . . . . 0.0 109.402 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.9 m -134.68 138.83 44.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.539 1.135 . . . . 0.0 111.881 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 124.421 1.088 . . . . 0.0 112.119 173.296 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.48 132.63 40.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.427 0.691 . . . . 0.0 111.184 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.62 155.9 38.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.892 1.677 . . . . 0.0 111.303 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -135.44 155.21 50.91 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.485 1.114 . . . . 0.0 112.607 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.01 136.88 50.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.879 2.471 . . . . 0.0 110.04 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mt -117.8 118.4 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.772 1.629 . . . . 0.0 109.262 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 40.8 tp -97.5 119.59 36.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.57 1.948 . . . . 0.0 110.435 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.01 137.25 54.2 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.841 0.856 . . . . 0.0 108.718 169.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.08 171.84 40.26 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 114.909 0.724 . . . . 0.0 114.909 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -78.93 -29.06 43.9 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.29 1.436 . . . . 0.0 114.061 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -104.06 -24.23 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.329 1.452 . . . . 0.0 113.975 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.57 146.15 25.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.168 1.387 . . . . 0.0 113.025 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.95 150.95 50.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.44 1.096 . . . . 0.0 110.361 169.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -171.46 43.44 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.275 1.27 . . . . 0.0 116.275 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -147.56 142.86 27.31 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.032 1.733 . . . . 0.0 112.696 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -136.83 157.5 46.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.265 1.026 . . . . 0.0 113.219 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -142.8 141.68 31.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.922 1.289 . . . . 0.0 111.317 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -145.24 166.19 26.2 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.835 2.054 . . . . 0.0 111.528 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -128.38 118.34 23.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.954 1.302 . . . . 0.0 111.126 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.66 166.87 21.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.653 1.581 . . . . 0.0 111.754 -170.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 6.0 p -67.61 -34.8 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.072 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.83 167.51 29.43 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.187 1.795 . . . . 0.0 110.484 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -35.17 51.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.91 1.684 . . . . 0.0 112.713 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.57 63.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.706 1.202 . . . . 0.0 112.906 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.478 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 32.2 m -75.15 -41.21 58.75 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.437 -0.79 . . . . 0.0 111.142 172.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.42 98.89 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.865 -1.147 . . . . 0.0 112.868 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.23 -43.22 87.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.548 1.139 . . . . 0.0 111.047 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.34 -46.77 85.06 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.34 -47.95 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.464 1.029 . . . . 0.0 111.816 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.93 -41.75 98.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.052 -1.03 . . . . 0.0 112.883 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.67 -25.87 64.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -64.95 -43.42 92.77 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.361 -0.837 . . . . 0.0 112.674 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -75.36 -50.09 17.01 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.267 0.94 . . . . 0.0 112.676 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -85.13 30.05 0.62 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.721 1.608 . . . . 0.0 113.789 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.27 79.21 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 128.373 2.669 . . . . 0.0 114.011 173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 68.88 -66.84 0.23 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.732 2.813 . . . . 0.0 114.379 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 45.37 28.49 0.47 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.49 2.316 . . . . 0.0 115.838 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.55 29.97 18.88 Favored Glycine 0 CA--C 1.545 1.926 0 C-N-CA 128.086 2.755 . . . . 0.0 114.656 -171.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.99 -38.32 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.531 1.932 . . . . 0.0 110.638 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 32.63 44.6 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.734 2.814 . . . . 0.0 116.291 169.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.15 167.12 43.55 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.62 119.69 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.281 1.432 . . . . 0.0 110.013 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -81.28 137.93 35.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.365 0.666 . . . . 0.0 110.907 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -138.88 155.41 48.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.761 2.024 . . . . 0.0 108.752 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -143.14 138.72 29.99 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.523 1.129 . . . . 0.0 112.536 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.22 109.45 16.37 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.425 1.89 . . . . 0.0 110.334 170.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.77 -37.13 85.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.032 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -11.24 18.75 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.23 12.44 6.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.987 1.715 . . . . 0.0 114.291 170.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.61 40.88 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.044 1.738 . . . . 0.0 115.035 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 93.4 m -126.88 138.19 53.27 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.524 0.678 . . . . 0.0 112.556 -170.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -104.53 145.82 29.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.259 2.624 . . . . 0.0 110.045 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -129.73 142.83 50.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.179 0.991 . . . . 0.0 110.321 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.1 t -130.06 120.84 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.159 1.784 . . . . 0.0 108.982 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.2 m -135.06 139.85 45.09 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.474 1.11 . . . . 0.0 111.487 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 119.406 1.003 . . . . 0.0 111.008 169.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 22.9 ptp . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 111.517 0.192 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.15 135.16 44.65 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.118 0.967 . . . . 0.0 111.927 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -124.91 159.17 31.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.288 1.835 . . . . 0.0 111.615 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -135.45 154.33 51.47 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.691 1.196 . . . . 0.0 113.186 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -133.25 126.83 32.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.713 2.405 . . . . 0.0 110.758 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.57 129.99 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.602 1.561 . . . . 0.0 109.535 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.7 tp -111.69 119.68 39.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.213 1.405 . . . . 0.0 111.567 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.68 139.27 51.24 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.45 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.05 -177.04 41.34 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.528 1.537 . . . . 0.0 114.337 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -107.81 -1.17 21.11 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.221 1.408 . . . . 0.0 113.447 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 m -138.24 -20.62 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.095 1.758 . . . . 0.0 112.75 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -151.68 144.11 24.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.496 1.518 . . . . 0.0 110.843 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -140.38 155.9 46.59 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.696 1.598 . . . . 0.0 110.801 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.69 -172.18 45.21 Favored Glycine 0 N--CA 1.473 1.147 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -146.69 140.92 26.3 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.339 1.856 . . . . 0.0 111.804 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 p -138.89 159.32 42.41 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -139.67 143.11 36.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.334 1.454 . . . . 0.0 110.828 -176.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -144.86 165.85 26.94 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.639 1.575 . . . . 0.0 110.883 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.6 120.95 35.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.724 1.61 . . . . 0.0 110.268 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 165.63 25.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.376 1.471 . . . . 0.0 111.112 -173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -66.43 -44.07 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p30 -149.91 166.93 28.1 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.331 1.452 . . . . 0.0 113.762 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.77 19.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.833 1.653 . . . . 0.0 113.777 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -41.86 41.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.059 1.344 . . . . 0.0 110.548 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -68.35 -47.96 66.1 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.65 -1.281 . . . . 0.0 112.122 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.47 76.15 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.708 -1.245 . . . . 0.0 113.938 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -75.49 -28.8 59.33 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.596 170.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -65.28 -41.33 94.29 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.883 1.219 . . . . 0.0 111.573 170.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.2 -52.22 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.843 -1.16 . . . . 0.0 110.929 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.4 -32.15 72.93 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -62.12 -27.71 69.13 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.808 0.731 . . . . 0.0 112.595 170.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -41.17 66.04 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.18 -1.575 . . . . 0.0 112.532 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -81.27 -26.21 35.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -131.36 117.08 18.41 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.93 1.292 . . . . 0.0 112.497 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.43 -151.86 0.05 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 126.412 1.885 . . . . 0.0 111.095 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.56 -6.58 3.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.699 2.799 . . . . 0.0 116.247 172.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -49.44 -40.73 37.77 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.858 0.863 . . . . 0.0 111.812 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.2 -39.6 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 116.796 1.479 . . . . 0.0 116.796 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.22 -47.22 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.71 1.255 . . . . 0.0 113.664 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 37.46 38.58 0.14 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.391 1.876 . . . . 0.0 114.749 -172.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.01 44.89 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.025 1.298 . . . . 0.0 115.896 -169.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.5 120.57 22.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.329 1.451 . . . . 0.0 112.008 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -83.04 144.67 29.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.227 1.011 . . . . 0.0 113.536 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -138.79 153.25 48.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.409 1.884 . . . . 0.0 109.955 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -141.37 140.29 33.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.688 1.195 . . . . 0.0 113.095 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -117.92 118.8 32.97 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.784 2.434 . . . . 0.0 111.576 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -82.61 -31.88 28.64 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.16 -0.962 . . . . 0.0 113.098 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.6 -24.04 54.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.935 0.894 . . . . 0.0 112.79 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.2 p -128.77 2.98 5.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.988 1.715 . . . . 0.0 113.514 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 45.4 mmtm 53.71 39.37 30.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.376 1.47 . . . . 0.0 112.234 175.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -125.07 137.7 54.2 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.637 -169.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.95 145.74 34.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.243 2.617 . . . . 0.0 109.23 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.3 m -127.55 146.86 50.38 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.684 0.794 . . . . 0.0 110.428 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.95 128.98 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.668 1.987 . . . . 0.0 108.411 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.76 111.78 10.22 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 126.409 1.883 . . . . 0.0 113.578 177.549 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -73.08 131.39 42.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.902 0.881 . . . . 0.0 111.514 174.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.68 159.34 31.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.752 1.621 . . . . 0.0 111.74 171.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -134.89 153.03 52.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.548 1.139 . . . . 0.0 112.828 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.38 133.15 44.99 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.257 2.223 . . . . 0.0 110.172 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.17 125.59 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.736 1.615 . . . . 0.0 108.421 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.56 119.38 37.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.927 1.691 . . . . 0.0 109.223 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.4 121.54 38.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.795 1.238 . . . . 0.0 109.817 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.37 166.29 35.24 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.472 1.034 . . . . 0.0 114.421 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -73.8 -35.37 64.88 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 0.0 113.729 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.6 p -90.86 -34.07 15.4 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.422 1.089 . . . . 0.0 113.426 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 tt -147.29 143.21 27.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.156 1.382 . . . . 0.0 112.044 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -135.44 152.47 51.42 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.345 1.458 . . . . 0.0 111.13 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.05 -174.64 46.67 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.166 1.226 . . . . 0.0 116.166 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.51 140.2 23.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.756 2.023 . . . . 0.0 111.389 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -139.29 164.14 30.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.297 1.039 . . . . 0.0 113.362 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -142.18 144.92 33.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.405 1.482 . . . . 0.0 110.932 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -143.63 166.17 25.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.314 1.846 . . . . 0.0 111.186 -176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -128.69 114.67 16.92 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.113 1.365 . . . . 0.0 110.398 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.88 166.25 22.74 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.74 1.616 . . . . 0.0 111.193 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.73 -39.73 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.344 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -154.18 171.62 18.89 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.003 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -29.44 41.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.226 1.81 . . . . 0.0 113.088 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.33 57.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.106 0.963 . . . . 0.0 111.868 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -71.41 -44.85 64.13 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.735 -1.228 . . . . 0.0 111.326 171.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.53 86.05 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.856 -1.153 . . . . 0.0 113.524 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.55 -42.49 99.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.367 0.667 . . . . 0.0 111.153 170.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.28 -49.51 75.39 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 122.01 -0.431 . . . . 0.0 112.018 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.38 -51.72 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.185 0.994 . . . . 0.0 111.32 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.07 -36.21 74.69 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.48 -20.38 62.08 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 172.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.05 -45.16 74.67 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.659 -1.275 . . . . 0.0 112.17 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.59 -40.28 50.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.315 1.046 . . . . 0.0 113.26 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -110.97 30.97 6.39 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.7 -40.28 69.02 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -159.51 -60.1 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.578 1.951 . . . . 0.0 110.192 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 66.22 -77.62 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.817 3.247 . . . . 0.0 111.44 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.28 11.12 0.32 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.282 1.42 . . . . 0.0 115.565 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.54 -26.03 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -171.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 40.04 45.3 1.62 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.646 1.579 . . . . 0.0 113.835 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 158.07 41.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.966 0.793 . . . . 0.0 114.791 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.74 125.39 26.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.386 1.475 . . . . 0.0 110.519 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -89.61 138.18 31.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.61 0.764 . . . . 0.0 111.597 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.7 m -138.72 152.23 47.82 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.842 2.057 . . . . 0.0 109.288 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -144.34 138.92 28.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.09 1.314 . . . . 0.0 111.935 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -118.01 111.98 19.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.633 1.973 . . . . 0.0 109.538 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -70.31 -36.79 74.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.947 1.299 . . . . 0.0 112.466 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.81 14.93 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -129.52 12.66 5.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.534 1.534 . . . . 0.0 114.795 169.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt 42.59 39.55 1.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -126.11 136.89 53.44 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -106.92 145.62 31.99 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.596 2.358 . . . . 0.0 109.296 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 45.0 m -132.06 135.44 46.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.433 1.093 . . . . 0.0 110.062 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.14 120.23 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.71 1.604 . . . . 0.0 108.834 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.9 m -134.89 139.98 45.42 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.469 1.108 . . . . 0.0 112.752 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 117.927 -1.035 . . . . 0.0 111.54 169.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.49 134.54 43.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.001 0.92 . . . . 0.0 111.708 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.84 158.08 34.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.434 1.894 . . . . 0.0 111.222 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -134.48 154.73 51.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.737 1.215 . . . . 0.0 112.899 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.63 126.43 29.16 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.478 2.311 . . . . 0.0 110.678 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -105.01 124.51 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.088 1.355 . . . . 0.0 109.44 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.2 tp -108.07 119.29 39.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.913 1.285 . . . . 0.0 111.455 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.83 126.1 50.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.097 1.359 . . . . 0.0 110.065 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.12 174.65 44.85 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.535 1.064 . . . . 0.0 114.776 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmpt? -91.08 -30.25 16.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.116 1.366 . . . . 0.0 112.972 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -99.64 -21.31 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.18 1.792 . . . . 0.0 114.031 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.51 141.43 22.02 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.566 1.546 . . . . 0.0 111.694 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.39 136.05 32.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.349 1.46 . . . . 0.0 110.241 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.78 -170.97 43.07 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.14 133.12 21.32 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.632 1.973 . . . . 0.0 111.437 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -134.57 162.48 32.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.176 0.99 . . . . 0.0 113.398 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.43 143.56 29.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.855 1.262 . . . . 0.0 111.335 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -144.32 165.84 26.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 110.51 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -121.89 124.06 43.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.164 1.386 . . . . 0.0 110.492 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.27 164.95 26.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.983 1.713 . . . . 0.0 111.334 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.5 -38.7 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.357 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -152.59 168.97 23.84 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 111.76 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.9 -28.9 54.11 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.81 1.244 . . . . 0.0 113.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.57 56.82 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.423 1.089 . . . . 0.0 111.483 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 m -69.47 -43.65 72.78 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.686 -1.259 . . . . 0.0 111.667 170.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.04 86.57 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.545 -1.347 . . . . 0.0 112.896 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -43.23 97.65 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.146 0.579 . . . . 0.0 110.55 169.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.56 -49.69 74.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.358 0.527 . . . . 0.0 111.588 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.25 -51.54 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.339 -0.85 . . . . 0.0 111.689 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -61.76 -38.05 86.55 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -68.06 -29.51 68.49 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.921 -0.487 . . . . 0.0 112.166 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.71 -37.59 87.94 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 119.736 -1.853 . . . . 0.0 112.332 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.48 -27.12 22.86 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -139.29 23.44 2.54 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 119.677 3.214 . . . . 0.0 119.677 -169.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -95.65 -37.72 10.69 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 119.089 -2.257 . . . . 0.0 114.275 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -143.38 9.83 1.64 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 -169.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.07 -28.26 69.34 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.934 -1.104 . . . . 0.0 111.806 170.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.01 -18.11 0.05 OUTLIER Glycine 0 N--CA 1.476 1.346 0 N-CA-C 117.638 1.815 . . . . 0.0 117.638 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.82 -54.79 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 117.912 0.856 . . . . 0.0 112.33 -173.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 39.24 37.86 0.29 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.407 1.883 . . . . 0.0 114.424 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.07 -176.97 40.78 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.386 1.47 . . . . 0.0 115.032 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.6 125.65 32.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.939 1.296 . . . . 0.0 112.251 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -92.56 144.85 24.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.163 1.385 . . . . 0.0 113.422 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 m -139.0 156.04 47.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.346 1.858 . . . . 0.0 110.174 172.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -144.36 137.29 27.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.534 1.133 . . . . 0.0 113.12 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -118.32 103.27 9.65 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.857 2.063 . . . . 0.0 111.233 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.03 -34.85 73.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.987 1.315 . . . . 0.0 113.636 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.25 -21.67 35.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.617 1.167 . . . . 0.0 114.136 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -128.98 12.63 6.19 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.583 1.953 . . . . 0.0 112.948 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 40.37 44.82 1.73 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.168 1.787 . . . . 0.0 114.665 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -127.71 134.62 49.56 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.882 0.849 . . . . 0.0 112.488 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -101.09 145.82 28.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.029 2.932 . . . . 0.0 109.666 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.6 m -125.22 146.36 49.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.733 0.813 . . . . 0.0 110.383 171.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -133.17 127.6 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.127 1.771 . . . . 0.0 109.93 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -134.65 111.69 10.21 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 113.372 176.579 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.55 133.89 42.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.686 0.794 . . . . 0.0 111.2 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.64 160.46 28.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 111.639 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -135.48 153.36 51.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.977 1.311 . . . . 0.0 112.212 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.39 111.02 10.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.747 2.019 . . . . 0.0 110.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mt -87.79 126.28 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.881 1.272 . . . . 0.0 108.607 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.2 tp -113.65 119.65 38.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 110.002 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.86 139.15 52.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.1 -178.6 37.02 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.135 1.35 . . . . 0.0 114.164 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -106.4 5.57 29.59 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.538 1.535 . . . . 0.0 113.736 -176.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.2 m -143.06 -41.71 0.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.913 1.685 . . . . 0.0 111.779 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -138.55 143.25 39.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.962 1.305 . . . . 0.0 111.146 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.27 162.13 33.02 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.615 1.966 . . . . 0.0 110.506 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.61 -170.49 43.13 Favored Glycine 0 N--CA 1.473 1.145 0 N-CA-C 116.552 1.381 . . . . 0.0 116.552 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -144.38 128.29 17.42 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.052 2.141 . . . . 0.0 110.337 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.8 p -133.44 166.32 22.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.127 0.971 . . . . 0.0 112.803 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.22 143.99 29.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.119 1.368 . . . . 0.0 111.752 -169.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -148.09 166.24 28.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.843 1.657 . . . . 0.0 111.204 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -124.58 124.56 42.5 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.675 1.19 . . . . 0.0 111.64 170.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.6 31.4 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 126.417 1.887 . . . . 0.0 112.0 -171.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.1 -38.02 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.458 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -155.07 170.37 21.94 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.726 1.61 . . . . 0.0 110.307 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.89 34.16 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.304 1.842 . . . . 0.0 112.957 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.71 71.4 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.92 1.688 . . . . 0.0 112.331 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -79.28 -39.04 33.96 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.29 -0.881 . . . . 0.0 111.304 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.05 94.2 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.539 -1.351 . . . . 0.0 113.944 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.78 -31.66 69.72 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.84 -44.3 93.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.049 0.84 . . . . 0.0 112.382 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -50.6 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 120.438 -1.414 . . . . 0.0 111.887 173.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.1 -38.36 86.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 113.301 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.88 -22.51 60.75 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.15 -0.969 . . . . 0.0 113.28 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -67.68 -35.92 79.73 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.76 1.164 . . . . 0.0 112.827 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.76 -37.93 39.95 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.81 27.89 9.12 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -58.26 -54.69 44.14 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -164.82 22.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.523 1.929 . . . . 0.0 114.219 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -59.62 -34.06 72.3 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.19 -31.98 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 N-CA-C 117.039 1.576 . . . . 0.0 117.039 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -67.9 -48.4 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 118.903 1.351 . . . . 0.0 113.419 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 37.74 39.36 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.495 1.918 . . . . 0.0 114.353 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.33 173.72 51.82 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.673 1.13 . . . . 0.0 115.669 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.74 120.05 18.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.326 1.451 . . . . 0.0 110.784 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -85.36 139.96 31.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.934 0.894 . . . . 0.0 111.719 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 m -138.86 154.91 48.46 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.404 2.282 . . . . 0.0 109.723 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -144.58 143.25 30.71 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.087 1.312 . . . . 0.0 112.998 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.06 119.2 34.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.535 2.334 . . . . 0.0 111.237 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.61 -26.69 32.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.299 -0.875 . . . . 0.0 113.318 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.26 -18.67 65.3 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -128.88 2.22 5.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.768 -1.56 . . . . 0.0 114.55 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt 50.74 36.12 13.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.626 1.57 . . . . 0.0 112.453 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.95 134.56 54.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.367 -170.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.12 145.69 29.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.922 2.089 . . . . 0.0 109.364 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -128.3 138.69 52.52 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.822 0.849 . . . . 0.0 110.351 173.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.73 130.51 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.801 1.641 . . . . 0.0 108.93 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.6 m -134.67 137.07 43.27 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.296 0.638 . . . . 0.0 112.25 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 C--O 1.248 0.997 0 C-N-CA 128.488 2.715 . . . . 0.0 108.781 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -80.77 135.59 36.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.737 0.815 . . . . 0.0 111.995 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.93 159.36 31.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.033 2.133 . . . . 0.0 111.276 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -135.52 155.21 50.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.304 1.042 . . . . 0.0 113.322 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -134.56 129.83 35.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.941 2.496 . . . . 0.0 110.15 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -112.82 126.54 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.106 1.362 . . . . 0.0 109.78 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.3 tp -106.67 119.39 39.18 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.468 1.507 . . . . 0.0 111.355 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.6 135.96 54.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.214 1.405 . . . . 0.0 110.41 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.28 -175.99 46.03 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -109.75 -35.31 6.22 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.379 1.472 . . . . 0.0 111.972 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 m -77.63 -34.25 53.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.704 1.201 . . . . 0.0 112.263 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.72 149.46 29.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.151 1.381 . . . . 0.0 111.648 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -136.87 155.48 49.72 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.666 1.586 . . . . 0.0 109.509 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.17 -169.35 40.32 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.782 1.473 . . . . 0.0 116.782 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -144.24 142.63 30.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.352 1.861 . . . . 0.0 111.692 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -137.83 155.5 48.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.927 0.891 . . . . 0.0 113.377 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.49 140.09 25.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.831 1.252 . . . . 0.0 110.684 -171.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -152.72 163.55 39.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.66 1.184 . . . . 0.0 111.612 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.05 124.22 51.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.076 1.751 . . . . 0.0 110.512 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 165.11 26.5 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.557 1.543 . . . . 0.0 111.752 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.461 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 5.5 p -66.07 -40.55 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -152.03 169.7 21.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.582 1.553 . . . . 0.0 110.881 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.4 35.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.483 1.913 . . . . 0.0 112.704 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.71 -37.76 65.06 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.892 1.277 . . . . 0.0 112.217 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 57.5 m -70.93 -43.6 67.88 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.645 -1.285 . . . . 0.0 112.262 173.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.48 89.94 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.794 -1.191 . . . . 0.0 113.014 171.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.311 0.645 . . . . 0.0 110.908 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -65.96 -45.69 80.85 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.169 0.895 . . . . 0.0 113.204 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.6 -49.16 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.33 -1.481 . . . . 0.0 111.528 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.53 -41.7 94.98 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -67.83 -27.29 66.58 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.295 -0.878 . . . . 0.0 112.657 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.95 -32.41 73.88 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 119.574 -1.954 . . . . 0.0 112.829 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -91.51 -13.46 32.1 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -138.49 22.89 2.73 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -58.06 -70.51 0.14 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.31 23.21 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.111 2.164 . . . . 0.0 112.951 -174.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -57.72 -38.54 75.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.789 0.836 . . . . 0.0 112.665 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.75 -35.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 116.603 1.401 . . . . 0.0 116.603 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.35 -46.34 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.802 1.301 . . . . 0.0 113.016 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.32 41.11 0.22 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.565 1.946 . . . . 0.0 113.831 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.38 174.84 38.74 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 116.491 1.356 . . . . 0.0 116.491 -169.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.05 115.07 17.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.129 1.371 . . . . 0.0 110.611 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -80.23 140.82 36.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.943 0.897 . . . . 0.0 111.712 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.97 152.2 47.49 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.633 1.973 . . . . 0.0 109.769 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -143.23 135.9 27.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.401 1.08 . . . . 0.0 112.401 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -118.1 101.57 8.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.006 2.122 . . . . 0.0 110.399 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.1 -33.45 76.05 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.03 13.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.98 1.312 . . . . 0.0 114.233 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -128.82 12.74 6.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 42.16 44.89 3.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.256 1.822 . . . . 0.0 114.441 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -130.95 139.21 50.01 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.92 0.867 . . . . 0.0 112.724 -172.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.91 145.77 30.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.868 2.867 . . . . 0.0 109.571 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 m -129.64 142.75 50.67 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.987 0.915 . . . . 0.0 109.824 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.11 131.02 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.474 1.509 . . . . 0.0 109.977 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.76 139.66 45.32 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.703 1.201 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 124.891 1.276 . . . . 0.0 111.852 177.22 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.05 132.84 43.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.785 0.834 . . . . 0.0 111.341 172.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.55 155.7 38.59 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.867 1.667 . . . . 0.0 111.345 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -134.72 150.8 50.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.573 1.149 . . . . 0.0 112.017 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -128.43 126.58 40.86 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.2 2.2 . . . . 0.0 109.813 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -107.84 122.18 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.565 1.546 . . . . 0.0 108.6 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.8 119.68 39.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.471 1.908 . . . . 0.0 109.876 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -118.43 133.02 56.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.086 0.955 . . . . 0.0 109.455 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.43 177.97 46.71 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -98.93 -26.16 14.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.382 1.873 . . . . 0.0 111.301 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -75.62 -43.42 48.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.925 1.29 . . . . 0.0 111.954 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -151.87 152.08 32.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -130.83 148.08 52.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.887 1.275 . . . . 0.0 109.503 169.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.8 -173.17 44.54 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 116.765 1.466 . . . . 0.0 116.765 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -146.35 141.21 27.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.301 1.84 . . . . 0.0 111.721 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -137.73 160.63 38.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 112.784 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -143.94 141.24 30.12 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.253 1.421 . . . . 0.0 111.427 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -142.71 166.32 24.99 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.094 2.157 . . . . 0.0 111.451 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.54 113.19 16.45 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.237 1.415 . . . . 0.0 110.429 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.69 163.44 24.28 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 111.621 -169.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 3.8 p -68.23 -39.28 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.349 175.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -154.98 167.99 28.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 109.748 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.04 15.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.877 2.071 . . . . 0.0 113.092 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.3 -33.23 55.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.785 1.234 . . . . 0.0 112.564 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.413 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 86.8 m -76.39 -40.2 51.6 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.654 -1.279 . . . . 0.0 111.708 172.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.57 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.692 -1.255 . . . . 0.0 112.231 169.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.46 -40.47 96.72 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.317 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.26 -47.83 80.76 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.727 0.694 . . . . 0.0 112.524 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.7 -52.12 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 120.517 -1.365 . . . . 0.0 111.786 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.23 -39.45 82.79 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.51 -20.44 59.98 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -71.82 -43.98 64.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.718 1.145 . . . . 0.0 111.822 170.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.09 -48.64 67.59 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.315 -0.866 . . . . 0.0 112.159 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -88.52 33.07 0.76 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.886 1.674 . . . . 0.0 114.006 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.68 69.15 0.16 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.569 2.748 . . . . 0.0 114.513 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 50.72 44.17 27.8 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.103 1.761 . . . . 0.0 113.855 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -61.99 -37.26 84.14 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.929 0.871 . . . . 0.0 110.974 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.83 -27.4 0.13 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.964 1.546 . . . . 0.0 116.964 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.51 -48.82 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 118.434 1.117 . . . . 0.0 112.849 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 33.49 44.51 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.279 2.231 . . . . 0.0 113.834 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.29 175.75 48.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -75.66 120.81 21.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.951 1.3 . . . . 0.0 109.681 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -88.35 142.49 27.69 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.651 0.781 . . . . 0.0 111.074 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -138.81 153.84 48.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.991 2.116 . . . . 0.0 109.486 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -146.84 137.69 23.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.42 1.464 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.13 112.25 19.92 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.954 2.102 . . . . 0.0 109.53 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' B' ' 49' ' ' THR . 23.7 t70 -74.1 -34.57 64.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.501 0.72 . . . . 0.0 112.68 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.43 -10.3 4.71 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.708 1.603 . . . . 0.0 115.078 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.41 ' H ' ' C ' ' B' ' 47' ' ' ASP . 14.4 t -129.46 11.55 5.83 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.74 1.616 . . . . 0.0 114.201 169.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp 37.57 41.46 0.29 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.514 1.926 . . . . 0.0 114.736 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.26 140.28 52.65 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.311 -0.868 . . . . 0.0 112.135 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.74 145.66 40.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.676 2.39 . . . . 0.0 109.751 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.1 m -132.15 130.54 41.26 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.87 0.868 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.43 131.27 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.262 1.425 . . . . 0.0 109.702 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 95.2 m -134.73 132.53 38.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.035 0.934 . . . . 0.0 111.857 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.487 1.4 0 C-N-CA 124.809 1.243 . . . . 0.0 112.548 173.67 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.04 133.96 44.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.998 0.919 . . . . 0.0 111.368 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -125.02 158.28 34.11 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.918 1.687 . . . . 0.0 111.606 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.44 152.76 51.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.549 1.14 . . . . 0.0 113.093 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -131.47 111.94 12.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.817 2.447 . . . . 0.0 110.529 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -89.63 128.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 109.08 171.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.6 tp -113.73 119.77 38.53 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.467 1.507 . . . . 0.0 112.191 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -115.62 134.64 54.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.358 172.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.77 176.41 46.31 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -99.4 -41.12 7.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.973 1.709 . . . . 0.0 111.282 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 m -78.82 -35.42 44.13 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 112.36 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -151.81 149.97 29.61 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.044 1.337 . . . . 0.0 111.716 -176.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -134.05 160.26 38.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 110.034 172.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 -174.82 46.3 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -146.72 134.79 21.54 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.514 1.926 . . . . 0.0 110.701 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 p -137.81 159.14 42.81 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -141.65 142.8 33.39 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.939 1.296 . . . . 0.0 110.8 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -144.64 164.91 29.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.898 1.679 . . . . 0.0 110.023 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.91 124.04 43.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.059 1.343 . . . . 0.0 110.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.34 166.51 23.3 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.866 1.666 . . . . 0.0 111.645 -173.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' CG1' ' HG1' ' A' ' 25' ' ' THR . 5.9 p -68.07 -40.04 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.436 177.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.82 168.27 24.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.37 1.468 . . . . 0.0 110.524 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -27.01 42.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.655 1.582 . . . . 0.0 112.822 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.3 62.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.018 1.327 . . . . 0.0 111.867 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.403 ' HG1' ' CG1' ' A' ' 21' ' ' VAL . 39.4 m -74.22 -42.49 59.67 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.726 -1.234 . . . . 0.0 111.944 173.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.45 84.1 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.655 -1.278 . . . . 0.0 113.151 171.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -63.61 -39.78 95.23 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.668 0.787 . . . . 0.0 111.138 169.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.53 -46.1 84.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.6 0.636 . . . . 0.0 112.46 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.79 -51.78 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.482 -1.386 . . . . 0.0 111.474 173.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.24 -40.18 93.08 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.18 -22.78 63.88 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -73.5 -42.08 62.28 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.359 1.436 . . . . 0.0 111.902 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -74.48 -21.2 59.69 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -128.59 33.08 4.72 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.69 -61.97 1.69 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -162.63 14.86 0.08 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.193 1.797 . . . . 0.0 114.704 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.59 -31.53 72.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.488 0.715 . . . . 0.0 112.524 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.44 -27.99 0.04 OUTLIER Glycine 0 CA--C 1.532 1.125 0 N-CA-C 116.787 1.475 . . . . 0.0 116.787 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.97 -62.16 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.461 1.131 . . . . 0.0 112.615 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 36.84 43.01 0.25 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.549 1.939 . . . . 0.0 114.525 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.8 -173.12 23.69 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.437 1.494 . . . . 0.0 115.836 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -86.38 123.13 31.27 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.897 1.679 . . . . 0.0 112.312 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -93.38 144.65 25.13 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.646 1.179 . . . . 0.0 113.626 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.9 152.89 48.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.431 2.292 . . . . 0.0 109.922 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -143.0 137.43 29.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.463 1.105 . . . . 0.0 112.838 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.08 104.31 10.73 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.871 2.069 . . . . 0.0 110.777 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.14 -37.58 80.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.198 1.399 . . . . 0.0 113.569 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -19.48 15.73 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.039 1.336 . . . . 0.0 114.585 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.96 12.77 6.23 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.787 2.035 . . . . 0.0 113.076 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 40.91 45.02 2.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.171 1.789 . . . . 0.0 114.41 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -131.06 138.05 49.42 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.758 0.789 . . . . 0.0 113.116 -172.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.39 145.75 29.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.655 2.782 . . . . 0.0 109.418 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -134.82 126.32 28.62 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.043 0.937 . . . . 0.0 111.081 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.82 133.28 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 111.76 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 m -134.98 111.9 10.18 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.488 1.43 0 C-N-CA 125.225 1.41 . . . . 0.0 113.325 175.349 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.01 131.57 42.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.773 0.829 . . . . 0.0 111.619 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.71 158.94 32.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.869 1.668 . . . . 0.0 112.128 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -134.36 155.24 50.61 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 112.527 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -133.25 125.43 29.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.13 2.172 . . . . 0.0 110.151 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -106.61 124.76 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.985 1.714 . . . . 0.0 108.467 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.3 tp -113.6 119.63 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 110.599 -171.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.95 115.38 23.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.885 1.274 . . . . 0.0 110.433 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.51 177.64 34.22 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.567 1.079 . . . . 0.0 114.969 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -101.32 -32.3 10.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.395 1.478 . . . . 0.0 112.243 -173.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.0 m -79.76 -41.69 26.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.042 0.937 . . . . 0.0 111.532 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -150.69 146.66 26.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.747 1.219 . . . . 0.0 112.068 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.99 155.7 48.68 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.121 1.768 . . . . 0.0 110.745 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.66 -171.85 44.29 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -145.21 139.7 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.669 1.988 . . . . 0.0 111.258 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -139.97 162.42 35.24 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.226 1.01 . . . . 0.0 113.073 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -143.95 140.89 29.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.092 1.357 . . . . 0.0 111.093 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.4 t -142.56 166.28 25.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.712 2.005 . . . . 0.0 111.358 -174.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -125.82 117.31 23.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.857 1.263 . . . . 0.0 110.838 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.43 165.15 23.22 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 125.581 1.553 . . . . 0.0 111.799 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.68 -38.9 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.183 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -155.61 168.69 26.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.559 1.543 . . . . 0.0 109.426 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -29.7 32.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 125.951 1.7 . . . . 0.0 112.771 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.17 64.87 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.093 -1.005 . . . . 0.0 112.171 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.1 m -75.15 -40.79 59.33 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.749 -1.219 . . . . 0.0 111.637 172.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.532 -1.355 . . . . 0.0 113.489 171.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.442 170.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.98 -49.47 74.57 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.243 0.474 . . . . 0.0 112.126 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.22 -52.77 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.228 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -59.98 -38.01 81.32 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -68.31 -21.13 64.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.42 -47.67 54.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.593 1.542 . . . . 0.0 111.192 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -68.48 -28.9 67.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.101 1.36 . . . . 0.0 114.088 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -124.21 31.85 5.68 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.35 -61.04 2.61 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -163.31 15.73 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.909 1.684 . . . . 0.0 114.94 -172.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -64.44 -29.26 70.31 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.09 -24.1 0.05 OUTLIER Glycine 0 N--CA 1.472 1.052 0 N-CA-C 117.2 1.64 . . . . 0.0 117.2 171.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.77 -57.57 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.307 1.054 . . . . 0.0 112.433 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 35.74 41.14 0.1 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.171 2.189 . . . . 0.0 115.007 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.92 179.02 28.67 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.044 1.307 . . . . 0.0 115.014 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.6 136.53 42.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.942 1.297 . . . . 0.0 110.644 170.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -104.31 143.3 33.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.969 1.308 . . . . 0.0 112.056 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.97 155.65 47.86 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.648 1.979 . . . . 0.0 110.581 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -148.92 144.57 26.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.437 1.471 . . . . 0.0 112.721 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.93 114.83 23.79 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.778 2.031 . . . . 0.0 111.402 173.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.74 -11.69 58.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.386 -1.446 . . . . 0.0 114.661 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.49 -20.95 53.53 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.318 2.3 t -129.6 8.27 5.37 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 52.52 39.53 28.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.043 1.737 . . . . 0.0 113.909 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.63 139.71 52.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.706 1.202 . . . . 0.0 110.534 -172.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -108.36 145.52 34.38 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.237 2.215 . . . . 0.0 108.968 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 48.5 m -130.7 126.61 36.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.64 0.776 . . . . 0.0 110.03 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.43 127.98 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.605 1.162 . . . . 0.0 109.744 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -134.83 130.68 36.42 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.689 0.795 . . . . 0.0 113.063 -171.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 125.036 1.335 . . . . 0.0 112.04 169.866 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.13 133.93 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.176 0.99 . . . . 0.0 111.151 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.8 159.1 31.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.074 1.75 . . . . 0.0 111.462 170.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.22 152.55 51.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.678 1.191 . . . . 0.0 112.854 -174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.84 117.87 19.1 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.294 2.238 . . . . 0.0 110.533 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.1 122.47 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.054 1.341 . . . . 0.0 109.319 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 tp -103.29 119.45 38.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.334 1.454 . . . . 0.0 110.979 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.3 145.47 45.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 110.4 169.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.82 -166.68 39.37 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.988 0.804 . . . . 0.0 114.438 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -121.19 -24.74 5.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.996 2.118 . . . . 0.0 112.456 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 m -80.25 -38.0 31.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.408 1.083 . . . . 0.0 111.501 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -151.76 151.01 30.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.541 1.536 . . . . 0.0 111.63 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.41 156.35 48.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.864 1.666 . . . . 0.0 109.715 169.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.1 -168.24 38.47 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 116.638 1.415 . . . . 0.0 116.638 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -146.69 139.16 25.0 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.865 1.666 . . . . 0.0 111.731 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -134.69 161.4 35.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.203 1.001 . . . . 0.0 113.066 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.4 141.34 27.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.184 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.57 166.07 25.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.911 1.685 . . . . 0.0 110.691 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -121.36 123.75 42.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.002 1.721 . . . . 0.0 109.95 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.86 24.74 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.446 1.498 . . . . 0.0 111.137 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.45 -45.23 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.45 170.32 19.89 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.531 1.132 . . . . 0.0 113.152 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.33 8.49 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.709 2.003 . . . . 0.0 113.425 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -41.89 45.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.79 1.636 . . . . 0.0 111.511 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.3 m -71.45 -44.0 65.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.625 -1.297 . . . . 0.0 111.899 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.57 83.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.849 -1.157 . . . . 0.0 113.651 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.03 -32.17 64.92 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 118.728 -0.653 . . . . 0.0 112.545 170.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.39 -46.52 88.25 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.248 0.931 . . . . 0.0 110.926 172.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.54 -52.26 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.264 -0.897 . . . . 0.0 111.181 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.52 -36.96 77.12 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.84 -20.44 65.15 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.98 -43.17 68.61 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 119.825 -1.797 . . . . 0.0 113.287 172.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.03 -21.22 29.52 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.787 1.235 . . . . 0.0 113.912 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 113.67 14.18 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.599 1.56 . . . . 0.0 112.49 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.19 -155.84 0.08 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.257 2.223 . . . . 0.0 109.773 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.71 -9.09 0.19 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.411 2.285 . . . . 0.0 116.805 173.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -56.42 -35.92 68.36 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.228 0.611 . . . . 0.0 112.287 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.9 -6.13 0.03 OUTLIER Glycine 0 N--CA 1.473 1.129 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.57 61.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 123.33 1.538 . . . . 0.0 113.961 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.42 46.42 0.43 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.246 1.818 . . . . 0.0 109.196 169.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.21 -161.75 20.72 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 127.528 2.489 . . . . 0.0 115.832 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.95 148.74 45.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.198 1.399 . . . . 0.0 112.597 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -121.07 138.26 54.27 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.687 1.195 . . . . 0.0 113.328 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -138.85 151.37 46.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.728 1.611 . . . . 0.0 109.965 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -143.46 136.48 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.853 1.261 . . . . 0.0 112.08 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.0 103.9 10.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.011 2.124 . . . . 0.0 110.3 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.34 -31.34 71.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.29 38.4 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 t -128.94 12.68 6.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.828 2.051 . . . . 0.0 113.503 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt 41.42 43.8 2.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.047 1.739 . . . . 0.0 114.57 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -127.88 138.05 52.54 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.824 0.821 . . . . 0.0 112.775 -171.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.21 145.94 33.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.05 2.94 . . . . 0.0 109.49 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -125.63 143.17 51.14 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.756 0.822 . . . . 0.0 110.825 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.26 132.04 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.5 1.92 . . . . 0.0 110.29 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -134.72 139.1 44.94 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.712 1.205 . . . . 0.0 111.7 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.697 172.55 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.464 ' SD ' ' HE3' ' B' ' 50' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.74 133.53 43.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.491 0.716 . . . . 0.0 111.441 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -124.73 157.01 36.72 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.906 1.682 . . . . 0.0 111.759 171.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.36 151.62 51.78 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.831 1.252 . . . . 0.0 112.314 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.02 132.64 47.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.008 2.123 . . . . 0.0 109.855 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.89 125.7 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.664 1.586 . . . . 0.0 108.7 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.82 119.7 40.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.131 1.772 . . . . 0.0 109.899 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -119.87 131.12 55.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.468 1.107 . . . . 0.0 109.13 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.33 -175.08 44.28 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -171.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -110.93 -28.44 8.35 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 112.182 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.1 m -87.9 -34.86 18.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.238 1.015 . . . . 0.0 112.168 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.61 148.19 27.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.715 1.206 . . . . 0.0 112.737 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -134.92 154.37 51.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.915 1.286 . . . . 0.0 110.313 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.25 -169.94 40.65 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -145.28 142.6 29.61 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.065 1.746 . . . . 0.0 111.746 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.6 p -137.62 164.1 29.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.497 1.119 . . . . 0.0 112.903 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 143.21 28.82 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.278 1.431 . . . . 0.0 111.406 -173.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.06 166.31 26.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.445 1.898 . . . . 0.0 111.141 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -123.88 122.63 38.49 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.416 1.087 . . . . 0.0 111.166 170.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.87 165.4 23.94 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.372 1.869 . . . . 0.0 111.457 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.5 -40.04 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.342 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -153.97 169.46 23.42 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.663 1.585 . . . . 0.0 110.492 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.6 -33.07 31.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 126.76 2.024 . . . . 0.0 112.781 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.87 -31.87 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.217 1.007 . . . . 0.0 112.549 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -77.72 -41.27 38.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.911 -1.118 . . . . 0.0 111.46 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.73 92.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.538 -1.351 . . . . 0.0 113.267 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -61.89 -41.82 98.34 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.584 0.753 . . . . 0.0 111.005 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.8 -47.46 83.37 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.68 -50.94 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 120.357 1.435 . . . . 0.0 111.589 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.23 -38.5 83.61 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.19 -20.33 60.91 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 174.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.97 -39.85 72.3 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.409 1.459 . . . . 0.0 112.563 171.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.11 -45.13 58.72 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.247 -0.908 . . . . 0.0 112.773 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.42 29.56 5.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.01 -57.83 11.16 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -167.03 26.43 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.081 2.153 . . . . 0.0 113.31 -173.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -57.75 -38.16 74.88 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.309 0.644 . . . . 0.0 112.717 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.94 -28.08 0.12 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.44 1.495 . . . . 0.0 115.817 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.73 -48.73 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.114 1.457 . . . . 0.0 112.796 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.22 40.11 0.17 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.253 2.221 . . . . 0.0 114.865 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.52 178.25 41.18 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.963 1.268 . . . . 0.0 114.8 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.86 148.64 42.17 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.117 1.367 . . . . 0.0 111.611 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -118.21 139.36 51.4 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.622 1.569 . . . . 0.0 112.751 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -138.87 153.91 48.35 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.847 2.059 . . . . 0.0 109.858 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -144.59 142.54 30.24 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.104 1.362 . . . . 0.0 112.567 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -118.12 121.5 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.284 2.234 . . . . 0.0 111.316 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.6 -28.84 30.58 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.312 -0.868 . . . . 0.0 112.831 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.01 -17.2 64.53 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 36.8 p -128.97 1.94 5.3 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.687 -1.597 . . . . 0.0 114.458 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.464 ' HE3' ' SD ' ' B' ' 1' ' ' MET . 52.4 mmtt 50.06 36.1 11.35 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.492 1.517 . . . . 0.0 112.327 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.1 m -123.01 138.32 54.72 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.826 -169.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -113.24 145.53 40.86 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.549 2.339 . . . . 0.0 109.166 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -130.03 137.03 50.03 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.815 0.846 . . . . 0.0 109.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.9 126.23 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.888 1.675 . . . . 0.0 108.983 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 126.4 28.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 124.346 1.059 . . . . 0.0 111.966 169.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.74 135.13 35.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.032 0.933 . . . . 0.0 111.964 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 158.35 33.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.984 2.113 . . . . 0.0 111.646 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -131.14 155.29 47.26 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.524 1.13 . . . . 0.0 112.419 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.83 133.1 42.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.922 2.489 . . . . 0.0 110.387 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -115.24 126.28 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.253 1.421 . . . . 0.0 109.692 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -109.65 116.33 31.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.16 1.384 . . . . 0.0 111.594 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.06 112.46 19.16 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.479 1.912 . . . . 0.0 110.916 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 168.09 38.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.086 0.851 . . . . 0.0 114.806 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.48 -35.72 58.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.132 1.373 . . . . 0.0 113.072 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -83.15 -33.68 26.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.83 2.052 . . . . 0.0 114.123 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -151.96 147.72 26.89 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.037 1.335 . . . . 0.0 111.42 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -134.48 151.83 51.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.619 1.168 . . . . 0.0 109.329 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.17 -174.03 44.23 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 116.696 1.438 . . . . 0.0 116.696 -177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.71 131.9 19.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.518 1.927 . . . . 0.0 111.766 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -135.87 158.7 43.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.24 139.03 25.52 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.682 1.193 . . . . 0.0 111.265 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 t -143.27 159.93 41.43 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.354 1.861 . . . . 0.0 111.018 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -117.27 120.36 38.0 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.692 1.597 . . . . 0.0 110.298 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.32 167.15 21.86 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.494 1.518 . . . . 0.0 111.694 -172.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.4 -37.28 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.858 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -154.73 172.47 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.428 1.891 . . . . 0.0 111.699 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.69 -32.03 65.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.645 1.178 . . . . 0.0 113.263 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.68 64.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.493 1.117 . . . . 0.0 111.418 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.2 m -68.02 -45.14 74.85 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.016 -1.053 . . . . 0.0 112.063 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.62 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.864 -1.147 . . . . 0.0 113.188 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.21 -40.92 95.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.871 0.868 . . . . 0.0 110.746 170.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.58 -43.93 88.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.264 0.938 . . . . 0.0 112.959 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.61 -49.75 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.357 -1.464 . . . . 0.0 111.622 172.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.17 -44.09 95.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -64.95 -29.5 70.44 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 112.216 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.51 -33.98 73.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.095 1.316 . . . . 0.0 113.695 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -80.33 -20.98 42.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.253 46.9 m-85 -121.21 30.51 6.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.589 1.556 . . . . 0.0 115.08 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -63.12 49.15 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.771 3.228 . . . . 0.0 116.425 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 60.53 3.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.309 1.844 . . . . 0.0 114.222 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -65.33 -38.3 89.71 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.488 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.61 42.04 0.04 OUTLIER Glycine 0 N--CA 1.473 1.129 0 C-N-CA 125.361 1.458 . . . . 0.0 116.097 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.37 -52.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.804 1.302 . . . . 0.0 113.342 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 31.76 52.93 0.23 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.58 2.352 . . . . 0.0 115.395 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.06 168.76 36.73 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-O 121.791 0.662 . . . . 0.0 114.589 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.73 115.47 4.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.831 1.653 . . . . 0.0 110.814 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -80.03 137.01 36.71 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.78 0.8 . . . . 0.0 110.403 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 m -138.99 152.36 47.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.493 1.917 . . . . 0.0 109.571 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -143.9 140.24 29.63 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -118.01 120.93 39.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.452 2.701 . . . . 0.0 112.336 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.93 -31.45 31.3 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.149 1.78 . . . . 0.0 113.614 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.09 64.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.823 0.849 . . . . 0.0 112.541 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -128.61 -6.3 5.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.465 1.506 . . . . 0.0 113.695 -171.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 59.77 45.25 12.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.119 1.368 . . . . 0.0 111.98 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -122.26 136.59 54.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.987 -172.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -107.71 145.71 33.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.518 2.327 . . . . 0.0 110.105 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -129.56 146.24 51.39 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.949 0.9 . . . . 0.0 110.555 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -133.04 121.93 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.181 1.793 . . . . 0.0 109.069 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -134.94 139.06 44.64 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.846 1.258 . . . . 0.0 113.646 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-N 120.273 1.397 . . . . 0.0 111.589 172.284 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -77.43 132.64 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.056 0.942 . . . . 0.0 111.627 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.52 157.37 35.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.046 1.738 . . . . 0.0 111.616 173.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -135.5 152.24 51.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.748 1.219 . . . . 0.0 112.275 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.71 130.82 45.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.114 2.166 . . . . 0.0 110.757 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.0 mt -109.04 112.99 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.878 1.671 . . . . 0.0 108.617 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -93.84 119.67 33.09 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.377 1.871 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -118.29 141.41 48.55 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.79 0.836 . . . . 0.0 110.397 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.89 -174.55 46.76 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.473 1.035 . . . . 0.0 113.867 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -108.36 -34.51 6.78 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.467 1.507 . . . . 0.0 112.151 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.6 m -71.91 -43.57 65.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.782 0.833 . . . . 0.0 111.545 170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -146.68 145.94 30.19 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.376 1.07 . . . . 0.0 112.696 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -130.85 153.22 49.34 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.997 1.319 . . . . 0.0 110.52 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.46 -172.79 44.23 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -144.56 135.53 25.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.566 1.947 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 p -136.86 163.2 31.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.937 0.895 . . . . 0.0 113.057 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.25 141.68 27.61 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.18 1.392 . . . . 0.0 111.212 -172.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -144.34 166.32 25.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.669 1.988 . . . . 0.0 111.794 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.83 127.11 52.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.317 1.447 . . . . 0.0 109.061 172.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.44 163.46 30.42 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.435 1.494 . . . . 0.0 111.718 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.3 -36.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.835 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -155.27 169.67 23.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.858 1.663 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.25 -35.91 60.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.716 1.206 . . . . 0.0 112.719 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.78 70.9 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.894 -1.129 . . . . 0.0 111.759 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -67.89 -45.49 74.33 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.265 1.026 . . . . 0.0 111.708 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.61 97.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.678 -1.264 . . . . 0.0 113.425 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.66 -42.04 98.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.057 0.943 . . . . 0.0 110.983 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.68 -47.32 85.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 80.2 t -59.07 -51.17 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.622 1.101 . . . . 0.0 111.544 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.47 -38.25 83.63 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.297 -0.877 . . . . 0.0 113.328 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.81 -20.47 61.14 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.77 -42.26 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.578 1.081 . . . . 0.0 111.254 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.94 -42.43 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.115 . . . . 0.0 113.661 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -104.76 26.54 9.01 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.646 1.178 . . . . 0.0 114.136 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.91 -56.31 22.23 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -165.43 35.34 0.06 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.963 1.705 . . . . 0.0 112.62 -170.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.49 -25.26 60.37 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.185 0.993 . . . . 0.0 112.311 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.3 0.28 0.25 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 127.663 2.554 . . . . 0.0 115.219 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.86 35.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.095 2.158 . . . . 0.0 111.516 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.44 51.06 0.05 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.559 2.343 . . . . 0.0 112.209 169.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.4 -160.01 22.18 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.366 2.412 . . . . 0.0 114.183 -169.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.9 118.86 16.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.745 1.218 . . . . 0.0 111.26 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -95.74 142.94 27.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.471 1.108 . . . . 0.0 110.031 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m -138.78 153.47 48.43 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.39 1.876 . . . . 0.0 109.263 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -142.94 138.74 30.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.776 1.23 . . . . 0.0 111.378 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.96 110.91 18.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.228 1.811 . . . . 0.0 109.063 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.5 -34.77 67.88 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.618 0.767 . . . . 0.0 112.091 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -9.81 12.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 12.52 5.93 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.754 1.222 . . . . 0.0 113.308 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 39.21 43.39 0.87 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.469 1.907 . . . . 0.0 115.366 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 91.0 m -131.01 140.04 50.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.403 -0.811 . . . . 0.0 112.934 -171.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.82 145.75 37.63 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.326 2.65 . . . . 0.0 110.455 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 53.6 m -128.65 141.44 51.34 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.7 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.49 136.41 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.768 0.827 . . . . 0.0 111.022 170.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 m -134.91 139.63 45.13 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.7 1.2 . . . . 0.0 110.958 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.486 1.337 0 C-N-CA 124.458 1.103 . . . . 0.0 112.466 172.177 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.47 136.25 44.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -124.93 158.2 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.176 1.79 . . . . 0.0 111.141 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -132.87 154.85 49.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.689 1.196 . . . . 0.0 112.514 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -132.68 129.98 39.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.406 2.682 . . . . 0.0 109.956 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.01 123.57 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.346 1.458 . . . . 0.0 109.605 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.7 tp -105.41 117.32 33.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.871 1.269 . . . . 0.0 111.317 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -120.13 116.18 25.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.29 1.836 . . . . 0.0 110.409 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.31 168.54 40.97 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.083 0.849 . . . . 0.0 114.557 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -79.27 -37.13 38.61 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.9 p -84.44 -29.36 26.17 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.69 145.69 25.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.474 1.51 . . . . 0.0 111.632 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.61 155.05 51.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.315 1.446 . . . . 0.0 109.812 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.07 -165.03 35.72 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -143.8 144.05 31.62 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.593 1.557 . . . . 0.0 112.425 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -138.26 158.46 44.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.438 1.095 . . . . 0.0 113.39 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -143.64 140.22 30.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.097 1.359 . . . . 0.0 110.853 -171.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.4 t -145.51 166.05 26.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.759 1.624 . . . . 0.0 110.551 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -118.99 126.82 52.64 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.28 1.432 . . . . 0.0 110.774 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 168.7 18.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.598 1.559 . . . . 0.0 111.666 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.85 -40.47 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.351 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -152.54 173.01 15.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.412 1.485 . . . . 0.0 112.725 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.7 63.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.959 1.303 . . . . 0.0 113.813 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.78 59.75 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 120.099 1.318 . . . . 0.0 111.36 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m -67.77 -46.0 73.28 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.797 -1.19 . . . . 0.0 112.117 170.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.58 83.3 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.407 -1.433 . . . . 0.0 113.654 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.44 -40.07 95.02 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.217 0.607 . . . . 0.0 111.314 170.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.72 -46.39 82.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.664 -0.647 . . . . 0.0 112.142 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.31 -50.46 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.193 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -59.87 -36.71 77.49 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.14 -25.29 66.1 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 171.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -60.29 -35.87 76.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 119.311 -2.118 . . . . 0.0 112.568 172.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.67 -22.12 20.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.356 1.462 . . . . 0.0 114.46 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -132.92 22.45 4.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.41 -38.61 74.62 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.503 -1.373 . . . . 0.0 113.565 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.83 -68.41 0.08 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.213 1.805 . . . . 0.0 110.707 169.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 44.48 -66.49 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.186 3.794 . . . . 0.0 116.541 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.84 8.57 1.77 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.91 1.243 . . . . 0.0 116.09 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.2 -43.85 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.082 1.441 . . . . 0.0 113.01 -171.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.19 43.03 1.3 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.039 1.735 . . . . 0.0 114.899 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.55 173.92 48.08 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 115.905 1.122 . . . . 0.0 115.905 -170.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 123.3 27.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.38 1.872 . . . . 0.0 111.465 172.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -84.19 144.73 28.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.486 1.115 . . . . 0.0 113.36 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -138.94 153.37 48.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.234 1.813 . . . . 0.0 109.821 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -144.23 136.15 26.17 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.508 1.123 . . . . 0.0 112.911 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.13 102.18 8.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.055 2.142 . . . . 0.0 111.215 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.96 -29.27 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -18.18 12.56 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -128.83 -0.44 5.37 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.104 1.762 . . . . 0.0 114.138 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 52.2 48.86 21.8 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.303 -1.498 . . . . 0.0 113.414 -171.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 m -129.7 139.49 51.34 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.802 0.811 . . . . 0.0 112.998 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -108.82 145.92 34.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.262 3.025 . . . . 0.0 109.845 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -126.11 147.2 49.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.973 0.909 . . . . 0.0 110.22 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -132.97 123.65 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.241 1.817 . . . . 0.0 108.988 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -134.99 139.88 45.23 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.969 1.308 . . . . 0.0 114.087 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.482 1.152 0 CA-C-N 119.646 1.112 . . . . 0.0 110.523 169.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -73.09 131.04 41.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.73 0.812 . . . . 0.0 111.631 174.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.53 158.84 31.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.055 1.742 . . . . 0.0 111.882 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.39 154.7 51.22 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.643 1.177 . . . . 0.0 112.547 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.05 132.44 44.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.635 2.374 . . . . 0.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -114.68 125.83 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.648 1.579 . . . . 0.0 108.49 172.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 65.2 tp -111.0 119.73 40.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.878 1.671 . . . . 0.0 110.245 -175.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -119.57 131.93 55.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.16 0.984 . . . . 0.0 109.282 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -179.74 45.12 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -102.19 -31.43 10.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.859 1.264 . . . . 0.0 112.61 -170.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -76.33 -40.04 52.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.68 1.192 . . . . 0.0 112.499 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.51 146.21 25.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 0.0 112.631 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.73 154.21 48.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.532 1.533 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.51 -174.33 43.84 Favored Glycine 0 N--CA 1.472 1.088 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -147.97 133.45 18.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.957 2.103 . . . . 0.0 110.796 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -141.4 163.76 32.06 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.333 1.053 . . . . 0.0 113.14 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -146.4 142.07 27.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 -170.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -142.57 166.23 25.23 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.928 2.091 . . . . 0.0 111.717 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -127.1 112.35 15.08 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.311 1.445 . . . . 0.0 110.75 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.06 166.14 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 125.764 1.626 . . . . 0.0 111.714 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.406 ' CG1' ' HG1' ' B' ' 25' ' ' THR . 3.4 p -67.85 -40.56 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.375 177.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -156.16 173.39 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.45 1.5 . . . . 0.0 110.26 174.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -28.19 36.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.367 1.867 . . . . 0.0 113.244 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.85 56.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.558 1.143 . . . . 0.0 112.168 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.406 ' HG1' ' CG1' ' B' ' 21' ' ' VAL . 58.0 m -75.5 -40.51 57.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.909 -1.12 . . . . 0.0 111.341 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.02 84.96 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.736 -1.228 . . . . 0.0 113.242 170.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -39.76 95.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.636 0.774 . . . . 0.0 111.528 170.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.02 -45.98 86.49 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.695 -0.628 . . . . 0.0 112.637 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.51 -53.97 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 120.803 -1.186 . . . . 0.0 111.024 173.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -58.49 -37.75 76.19 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -67.86 -27.74 66.94 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.204 -0.935 . . . . 0.0 113.189 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -36.41 83.58 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 119.987 -1.696 . . . . 0.0 112.409 172.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -89.78 -17.54 28.01 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.47 10.89 3.22 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 118.443 2.757 . . . . 0.0 118.443 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -70.96 -54.89 9.68 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -153.12 10.49 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -63.13 -32.46 73.85 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.6 -0.688 . . . . 0.0 111.969 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.106 1.602 . . . . 0.0 117.106 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.24 -58.19 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.157 1.479 . . . . 0.0 112.575 -174.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 36.15 41.93 0.15 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.597 1.959 . . . . 0.0 114.679 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 -176.87 28.66 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.089 1.328 . . . . 0.0 114.725 -169.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.39 122.04 21.43 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.437 1.095 . . . . 0.0 110.191 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -94.86 139.58 31.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.358 1.063 . . . . 0.0 111.027 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.1 m -138.84 154.32 48.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.72 2.008 . . . . 0.0 109.391 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -142.85 137.97 29.97 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.766 -1.208 . . . . 0.0 111.734 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.07 112.88 20.8 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.713 2.005 . . . . 0.0 109.47 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.25 -32.98 59.17 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.582 0.753 . . . . 0.0 112.453 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.26 -10.01 9.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -129.47 12.29 5.91 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 114.407 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt 39.76 40.39 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.964 1.706 . . . . 0.0 115.006 -172.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.9 m -126.24 135.53 51.68 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.532 -0.73 . . . . 0.0 112.199 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -102.34 145.55 29.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.954 2.102 . . . . 0.0 109.281 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -127.33 139.45 52.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.134 0.973 . . . . 0.0 109.756 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.06 132.83 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.502 1.121 . . . . 0.0 109.676 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.68 133.13 39.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.908 0.883 . . . . 0.0 112.2 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 127.939 2.496 . . . . 0.0 111.307 -176.65 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -73.08 132.72 43.67 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.854 0.862 . . . . 0.0 111.161 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.95 158.68 33.01 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.134 1.774 . . . . 0.0 111.697 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -132.29 155.26 48.66 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.016 1.326 . . . . 0.0 113.025 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.05 129.29 35.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.883 2.473 . . . . 0.0 110.938 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.22 116.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.568 1.547 . . . . 0.0 109.619 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.1 tp -98.12 118.04 33.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.098 1.359 . . . . 0.0 111.305 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.19 135.27 55.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.724 1.61 . . . . 0.0 109.97 169.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.71 177.52 48.47 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.11 -10.45 47.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.72 1.608 . . . . 0.0 113.26 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.9 m -129.68 -25.91 2.54 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.543 1.537 . . . . 0.0 113.004 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -151.75 141.6 21.97 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.892 1.277 . . . . 0.0 110.704 173.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.81 148.91 50.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.065 1.346 . . . . 0.0 110.167 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.52 -170.41 43.03 Favored Glycine 0 N--CA 1.475 1.297 0 N-CA-C 117.207 1.643 . . . . 0.0 117.207 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -144.1 126.73 16.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.358 1.863 . . . . 0.0 111.955 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -134.41 160.93 36.46 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -146.31 141.24 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.002 1.321 . . . . 0.0 111.253 -170.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -141.96 164.44 30.16 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.238 1.815 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -120.19 117.93 29.18 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.101 1.76 . . . . 0.0 109.681 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.38 160.35 39.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.511 1.525 . . . . 0.0 111.749 -169.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -152.71 171.42 18.24 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.06 1.744 . . . . 0.0 111.805 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -31.09 62.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.656 1.182 . . . . 0.0 113.235 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.94 -36.9 62.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.666 1.186 . . . . 0.0 111.456 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 m -67.11 -45.38 77.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 120.736 -1.228 . . . . 0.0 111.977 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.31 91.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.895 -1.128 . . . . 0.0 113.067 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.4 -40.08 93.06 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.127 0.971 . . . . 0.0 111.062 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.08 -44.58 79.7 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.87 -47.64 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 120.322 -1.486 . . . . 0.0 111.56 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.47 -41.45 94.19 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.431 -0.793 . . . . 0.0 111.763 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.79 -35.47 78.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 119.598 -1.939 . . . . 0.0 112.892 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.23 -21.56 33.36 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.52 19.61 2.91 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.58 -34.26 53.67 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 119.819 -1.801 . . . . 0.0 114.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -161.53 5.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -169.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -64.38 -31.63 72.91 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 121.129 -0.982 . . . . 0.0 111.991 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -39.34 0.04 OUTLIER Glycine 0 N--CA 1.473 1.134 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.36 -47.59 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.166 0.983 . . . . 0.0 112.993 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 37.45 43.49 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.229 1.812 . . . . 0.0 113.749 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.57 176.98 41.89 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.802 1.192 . . . . 0.0 115.926 -169.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.12 117.74 19.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.953 1.701 . . . . 0.0 110.907 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -80.26 143.64 33.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.365 1.066 . . . . 0.0 112.236 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -139.01 153.97 48.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.385 1.874 . . . . 0.0 109.817 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -143.93 137.86 28.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.504 1.122 . . . . 0.0 112.799 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.96 104.29 10.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.198 2.199 . . . . 0.0 110.477 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.16 -26.75 65.02 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 113.482 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -27.55 39.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.274 1.429 . . . . 0.0 113.445 172.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -128.76 9.25 5.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 112.709 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt 38.8 43.07 0.69 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.781 2.032 . . . . 0.0 114.07 -170.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -127.43 134.71 49.85 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.098 0.952 . . . . 0.0 112.466 -171.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -103.65 145.89 29.39 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.919 2.888 . . . . 0.0 110.069 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -126.28 145.5 50.39 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.696 0.798 . . . . 0.0 109.883 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.76 125.67 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.223 1.409 . . . . 0.0 109.292 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -134.96 139.85 45.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.022 1.329 . . . . 0.0 113.715 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 124.348 1.059 . . . . 0.0 111.03 169.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.471 ' SD ' ' HE2' ' B' ' 50' ' ' LYS . 51.6 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -76.96 129.44 36.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.504 0.722 . . . . 0.0 111.531 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.51 159.34 30.79 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.881 1.672 . . . . 0.0 111.925 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -135.52 153.54 51.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.89 1.276 . . . . 0.0 112.642 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -132.54 122.1 24.3 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.027 2.131 . . . . 0.0 111.129 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -101.28 115.7 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.273 1.429 . . . . 0.0 108.853 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.4 tp -99.65 119.17 37.66 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.774 1.63 . . . . 0.0 109.578 -175.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.19 111.14 17.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.683 0.793 . . . . 0.0 110.776 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.16 172.88 33.45 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.044 0.83 . . . . 0.0 114.97 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.08 -38.57 22.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.536 1.134 . . . . 0.0 112.876 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -79.68 -35.59 38.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.789 0.835 . . . . 0.0 112.691 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.95 146.17 28.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.126 0.971 . . . . 0.0 113.424 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mttp -130.98 151.0 51.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.894 1.277 . . . . 0.0 110.231 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.86 -172.3 43.16 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -141.68 133.57 27.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.945 1.698 . . . . 0.0 111.314 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.3 p -136.83 165.06 26.84 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.032 0.933 . . . . 0.0 112.867 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.04 146.26 30.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.59 1.556 . . . . 0.0 111.044 -171.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -144.54 165.97 26.49 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.838 1.655 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -128.37 109.88 11.84 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.883 1.273 . . . . 0.0 110.174 174.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.88 167.38 19.05 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.475 1.51 . . . . 0.0 111.786 -169.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -69.95 -34.75 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.943 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -154.16 168.2 27.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.69 1.596 . . . . 0.0 110.528 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.16 50.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.044 1.738 . . . . 0.0 112.628 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.43 66.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 112.661 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -71.89 -43.26 65.67 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.31 -0.869 . . . . 0.0 111.349 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.01 97.71 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.983 -1.073 . . . . 0.0 113.017 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.67 -43.1 94.09 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.415 1.086 . . . . 0.0 111.14 172.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.94 -48.38 82.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -57.66 -50.23 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 119.355 0.98 . . . . 0.0 111.604 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.7 -39.99 90.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.14 -0.975 . . . . 0.0 112.985 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -20.34 61.29 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -69.03 -43.21 75.19 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.625 1.102 . . . . 0.0 111.906 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.43 -37.87 42.73 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -111.78 24.97 12.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.63 -49.19 65.64 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -160.53 32.29 0.16 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.13 1.772 . . . . 0.0 112.925 -171.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.47 -26.17 46.02 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 122.07 0.938 . . . . 0.0 112.35 -174.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.13 -38.91 0.18 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.959 2.695 . . . . 0.0 111.709 176.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.02 38.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.66 2.384 . . . . 0.0 115.794 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.86 -5.97 10.72 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.921 1.688 . . . . 0.0 111.978 169.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.74 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.54 1.643 0 C-N-CA 130.407 3.861 . . . . 0.0 117.981 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.5 115.61 24.1 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.92 1.688 . . . . 0.0 111.737 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -88.09 143.09 27.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.398 1.079 . . . . 0.0 110.953 171.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -138.92 156.08 47.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.09 2.156 . . . . 0.0 110.048 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -143.17 141.72 31.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.035 1.334 . . . . 0.0 112.701 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.12 124.21 47.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.208 2.203 . . . . 0.0 111.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.58 -32.2 28.6 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.57 -17.39 63.91 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.823 -1.173 . . . . 0.0 114.067 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.2 1.91 5.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 112.978 -1.919 . . . . 0.0 113.997 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.471 ' HE2' ' SD ' ' B' ' 1' ' ' MET . 47.6 mmtm 50.12 33.44 7.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.462 1.505 . . . . 0.0 112.385 175.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 75.4 m -121.54 135.27 55.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.383 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.05 145.58 30.29 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.917 2.087 . . . . 0.0 109.387 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 70.3 m -129.93 142.59 50.63 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 0.0 109.349 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.24 135.35 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.276 0.631 . . . . 0.0 111.278 170.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.1 m -134.69 135.88 42.34 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.445 1.098 . . . . 0.0 111.625 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.004 1.322 . . . . 0.0 111.622 169.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.517 0.199 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.14 132.38 43.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 0.0 110.573 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -124.93 155.59 39.33 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.583 1.553 . . . . 0.0 111.203 170.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -132.98 155.37 49.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.088 0.955 . . . . 0.0 113.227 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -134.52 130.27 36.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.347 2.259 . . . . 0.0 109.924 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.0 mt -110.73 130.44 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.104 1.761 . . . . 0.0 108.715 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 tp -113.59 119.49 37.66 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.667 1.587 . . . . 0.0 112.181 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.32 133.2 56.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.281 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.25 174.88 43.7 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.722 1.153 . . . . 0.0 115.047 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -88.74 -37.97 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.858 1.263 . . . . 0.0 113.425 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -100.69 -20.04 15.79 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.444 1.498 . . . . 0.0 113.844 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.69 144.97 24.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.334 1.454 . . . . 0.0 112.172 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -140.62 159.05 43.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.618 1.967 . . . . 0.0 109.853 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.04 -169.87 42.91 Favored Glycine 0 N--CA 1.474 1.19 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.22 146.63 30.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.197 1.799 . . . . 0.0 112.156 173.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -141.01 161.09 38.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.374 1.07 . . . . 0.0 113.543 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.88 144.18 33.7 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.366 1.467 . . . . 0.0 110.69 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -146.17 159.78 42.85 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.535 1.534 . . . . 0.0 110.067 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.41 120.57 40.76 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.306 1.442 . . . . 0.0 109.906 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 164.21 28.63 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.577 1.551 . . . . 0.0 111.268 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.03 -38.28 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.399 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -153.53 171.47 18.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.182 1.793 . . . . 0.0 112.063 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.81 59.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.693 1.197 . . . . 0.0 113.395 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -36.18 59.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.558 1.143 . . . . 0.0 111.301 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -69.61 -44.43 70.71 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.807 -1.183 . . . . 0.0 111.78 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.16 84.77 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.628 -1.295 . . . . 0.0 113.437 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.34 -39.43 93.06 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.65 0.78 . . . . 0.0 110.732 170.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -68.12 -43.3 78.71 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.972 0.805 . . . . 0.0 113.108 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.08 -1.637 . . . . 0.0 111.368 172.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -60.0 -42.26 93.87 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.539 -0.726 . . . . 0.0 112.893 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.28 -26.21 67.23 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.437 -0.789 . . . . 0.0 112.737 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.17 -37.4 72.19 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.682 1.583 . . . . 0.0 112.953 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.26 -18.93 54.68 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -133.23 24.37 4.16 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -170.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -64.74 -67.75 0.41 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.19 16.18 0.34 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.58 1.552 . . . . 0.0 114.505 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -58.73 -35.58 72.92 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.203 0.601 . . . . 0.0 112.279 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.27 -30.19 0.03 OUTLIER Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.658 1.423 . . . . 0.0 116.658 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.52 -56.03 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.587 1.194 . . . . 0.0 112.934 -173.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 36.68 47.88 0.59 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.62 -174.98 19.94 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.173 1.368 . . . . 0.0 115.679 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -90.98 118.11 30.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.131 2.173 . . . . 0.0 112.078 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -85.71 143.9 28.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.975 1.31 . . . . 0.0 113.341 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -138.9 154.52 48.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.62 1.968 . . . . 0.0 109.564 174.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -142.62 142.01 32.03 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.964 1.257 . . . . 0.0 112.89 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -117.85 114.06 22.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.749 2.019 . . . . 0.0 112.197 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.19 -11.12 59.5 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.01 53.77 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -128.94 9.2 5.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.668 1.987 . . . . 0.0 114.512 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt 55.47 46.38 23.26 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.904 1.682 . . . . 0.0 113.526 172.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.3 m -133.9 142.75 47.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.077 0.951 . . . . 0.0 112.105 -170.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -108.46 145.84 34.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.575 2.75 . . . . 0.0 109.62 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -135.49 114.87 12.52 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.673 0.789 . . . . 0.0 111.23 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.55 131.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.822 1.249 . . . . 0.0 110.744 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -134.88 139.86 45.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.228 1.411 . . . . 0.0 112.257 -172.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.124 0.97 . . . . 0.0 111.546 171.785 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.68 130.91 40.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.815 0.846 . . . . 0.0 112.044 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.66 158.72 32.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 112.052 170.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -135.48 155.22 50.87 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.708 1.203 . . . . 0.0 112.96 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -133.38 133.71 42.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.315 2.246 . . . . 0.0 110.374 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 42.8 mt -114.45 126.39 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.74 1.616 . . . . 0.0 108.478 171.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 tt -113.56 119.36 37.23 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.711 1.604 . . . . 0.0 108.921 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -120.19 111.12 17.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.628 0.771 . . . . 0.0 109.915 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.99 172.03 21.87 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.377 1.465 . . . . 0.0 114.609 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.56 -26.69 65.54 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 18.5 p -126.01 -19.89 4.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 114.031 -173.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -143.27 142.74 31.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.907 1.683 . . . . 0.0 110.683 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -136.23 151.1 49.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.831 1.252 . . . . 0.0 111.523 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.82 -174.83 46.08 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 115.675 1.03 . . . . 0.0 115.675 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -145.77 138.33 25.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.461 1.905 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -137.96 163.34 31.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.008 0.923 . . . . 0.0 112.741 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -142.06 142.14 32.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.434 1.494 . . . . 0.0 110.439 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 12.3 t -137.13 164.31 28.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.154 1.782 . . . . 0.0 111.321 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.25 109.87 11.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.195 1.398 . . . . 0.0 109.897 171.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.89 168.5 17.75 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.368 1.467 . . . . 0.0 111.389 -170.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.47 -36.41 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.596 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -154.9 169.57 23.71 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.533 1.533 . . . . 0.0 110.325 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.23 -34.31 31.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.856 2.062 . . . . 0.0 112.838 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.29 65.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.614 1.166 . . . . 0.0 112.316 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -73.24 -42.68 62.28 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.901 -1.125 . . . . 0.0 111.701 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.06 97.88 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.814 -1.179 . . . . 0.0 113.051 171.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.38 -41.27 93.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 111.164 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.13 -51.5 67.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.671 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.93 -46.84 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 120.645 1.566 . . . . 0.0 111.275 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.93 -39.15 91.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -71.41 -25.71 62.45 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -71.6 -45.52 61.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.72 1.208 . . . . 0.0 112.019 170.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.72 -45.54 74.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.25 37.01 3.31 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.38 -54.21 49.38 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -166.47 32.37 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.991 1.717 . . . . 0.0 112.9 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -64.69 -33.25 75.5 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.098 -1.001 . . . . 0.0 111.609 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.98 23.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.152 1.834 . . . . 0.0 115.417 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.92 36.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.897 1.679 . . . . 0.0 111.314 -172.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -67.23 39.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.968 2.507 . . . . 0.0 113.71 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.47 -167.94 43.69 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.558 2.028 . . . . 0.0 115.081 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.02 124.68 24.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.84 1.256 . . . . 0.0 111.247 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -90.56 144.56 25.66 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.087 0.955 . . . . 0.0 111.645 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 29.0 m -138.88 153.84 48.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.041 2.136 . . . . 0.0 109.118 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -144.32 136.12 26.0 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.78 1.173 . . . . 0.0 111.794 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.08 107.37 13.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.558 1.943 . . . . 0.0 110.512 173.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.91 -27.03 63.49 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.068 0.947 . . . . 0.0 113.46 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -16.67 11.96 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.457 1.903 . . . . 0.0 114.609 171.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.1 p -129.05 0.96 5.25 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.53 1.932 . . . . 0.0 113.778 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt 41.37 36.14 0.49 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.862 1.665 . . . . 0.0 113.865 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -120.5 133.92 55.34 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.204 0.526 . . . . 0.0 111.573 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -102.31 145.51 29.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.477 2.311 . . . . 0.0 108.886 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 69.5 m -128.26 140.78 51.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.15 0.98 . . . . 0.0 110.092 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.7 t -127.21 130.82 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.924 1.289 . . . . 0.0 109.787 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -134.71 122.49 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.743 0.817 . . . . 0.0 112.461 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 128.526 2.73 . . . . 0.0 109.656 -179.25 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.04 132.63 43.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.19 0.996 . . . . 0.0 111.095 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -124.87 160.17 29.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 111.701 170.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.9 155.31 50.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 112.832 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.25 135.82 43.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.495 2.718 . . . . 0.0 110.472 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -118.26 129.1 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.64 1.576 . . . . 0.0 109.697 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.3 tp -109.27 119.36 39.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.679 1.591 . . . . 0.0 111.346 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -120.01 133.54 55.51 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.697 1.599 . . . . 0.0 110.329 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.22 171.02 39.59 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.632 1.111 . . . . 0.0 114.321 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.4 -36.09 46.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.728 1.211 . . . . 0.0 113.809 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 p -94.71 -25.44 16.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.75 1.22 . . . . 0.0 114.164 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -151.75 149.2 28.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.141 1.376 . . . . 0.0 111.869 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.19 159.06 42.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.59 1.556 . . . . 0.0 108.935 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.26 -174.2 44.29 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 116.999 1.559 . . . . 0.0 116.999 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -146.78 132.22 18.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.707 2.003 . . . . 0.0 111.527 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -135.97 160.21 39.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.92 142.31 29.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.923 1.289 . . . . 0.0 110.765 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -146.32 160.95 41.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.703 1.601 . . . . 0.0 110.375 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.77 125.62 54.19 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.318 1.447 . . . . 0.0 109.852 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.25 166.62 23.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.269 1.427 . . . . 0.0 111.542 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -64.14 -44.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.617 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -150.06 168.79 22.86 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.76 1.624 . . . . 0.0 111.673 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.13 -28.92 11.99 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 126.859 2.063 . . . . 0.0 113.108 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.65 43.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.006 1.322 . . . . 0.0 112.084 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -69.95 -42.69 72.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.295 -1.503 . . . . 0.0 111.914 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.88 86.23 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.842 -1.161 . . . . 0.0 113.001 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -62.94 -39.58 95.03 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.297 0.639 . . . . 0.0 110.825 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.17 -45.31 77.37 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.13 0.877 . . . . 0.0 113.147 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.2 -50.03 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 120.355 -1.465 . . . . 0.0 111.114 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -59.4 -41.68 90.0 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -68.97 -20.55 64.18 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -72.95 -47.46 45.28 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.563 -1.336 . . . . 0.0 113.1 170.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -67.4 -34.01 76.37 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 119.252 0.933 . . . . 0.0 112.729 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.25 65.0 m-85 -113.94 32.78 5.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.699 1.6 . . . . 0.0 114.304 -171.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -56.26 -44.18 79.45 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.668 1.187 . . . . 0.0 114.134 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -156.01 -61.13 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.287 1.435 . . . . 0.0 112.175 169.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 49.74 30.31 3.67 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 125.701 1.6 . . . . 0.0 114.093 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.71 21.63 58.44 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.608 1.575 . . . . 0.0 115.201 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -119.38 -36.31 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.018 1.727 . . . . 0.0 111.421 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 33.6 44.63 0.08 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 128.108 2.563 . . . . 0.0 116.756 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.51 45.17 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.2 116.74 7.6 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 0.0 110.771 169.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -80.03 139.51 36.92 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.794 0.807 . . . . 0.0 111.08 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 m -138.9 152.45 47.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.657 1.983 . . . . 0.0 109.344 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -144.6 137.13 26.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -118.08 101.33 8.16 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.096 2.158 . . . . 0.0 110.879 172.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.71 -41.07 76.77 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.248 1.419 . . . . 0.0 113.775 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -19.15 28.48 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.3 1.44 . . . . 0.0 114.849 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.72 12.8 6.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.691 1.996 . . . . 0.0 112.638 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 46.49 40.83 8.72 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.474 1.91 . . . . 0.0 113.62 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 m -125.63 134.76 51.77 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -101.83 145.95 28.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.407 3.083 . . . . 0.0 110.168 173.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.3 m -128.98 146.25 51.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.863 0.865 . . . . 0.0 110.366 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.99 124.67 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 109.752 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -135.02 139.87 45.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.679 1.592 . . . . 0.0 113.355 -176.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-N 120.186 1.357 . . . . 0.0 111.496 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -74.54 128.78 36.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.538 0.735 . . . . 0.0 111.13 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.64 158.5 32.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.675 1.59 . . . . 0.0 111.782 172.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -135.47 155.36 50.66 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.736 1.215 . . . . 0.0 112.768 -175.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -132.58 111.09 10.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.567 2.347 . . . . 0.0 110.534 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -88.35 128.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 109.406 171.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.7 119.75 40.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.418 1.887 . . . . 0.0 110.663 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.96 134.85 54.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.412 1.085 . . . . 0.0 110.256 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.15 -177.26 40.3 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.203 1.382 . . . . 0.0 114.306 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.3 4.53 26.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.8 1.64 . . . . 0.0 113.715 -171.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.3 m -132.89 -42.84 0.9 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.76 1.624 . . . . 0.0 111.472 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.27 145.44 34.03 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.25 1.42 . . . . 0.0 110.628 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -137.16 156.98 47.68 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 111.33 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.51 -169.69 42.8 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.85 138.23 26.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.969 2.107 . . . . 0.0 111.124 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.5 p -135.34 157.95 45.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.036 0.935 . . . . 0.0 112.318 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 141.41 29.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.895 1.278 . . . . 0.0 111.32 -169.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.99 166.19 25.38 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.302 1.841 . . . . 0.0 111.485 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -129.26 110.13 11.71 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.202 1.401 . . . . 0.0 110.007 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.73 17.01 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.694 1.598 . . . . 0.0 111.246 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.16 -39.27 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.764 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -150.82 169.03 22.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.487 1.515 . . . . 0.0 110.443 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.49 21.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.038 2.135 . . . . 0.0 113.012 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.84 55.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.824 1.249 . . . . 0.0 112.841 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -76.76 -42.43 40.96 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.872 -1.143 . . . . 0.0 111.058 172.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.12 91.1 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.014 -1.054 . . . . 0.0 112.698 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -60.12 -39.64 86.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.038 0.935 . . . . 0.0 111.511 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.68 -43.22 89.93 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.57 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.324 -1.485 . . . . 0.0 111.509 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.33 -41.13 92.93 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.367 -0.833 . . . . 0.0 112.873 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -71.24 -20.53 62.23 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.93 -47.42 52.59 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.1 -1.0 . . . . 0.0 112.672 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -69.98 -39.57 75.88 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.569 1.077 . . . . 0.0 112.794 174.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -103.43 31.28 4.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.724 1.61 . . . . 0.0 113.341 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -54.88 -34.04 62.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.471 1.508 . . . . 0.0 114.873 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -159.6 -71.54 0.08 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.958 1.303 . . . . 0.0 112.619 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 45.51 23.62 0.14 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.196 2.198 . . . . 0.0 115.453 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.47 10.44 17.01 Favored Glycine 0 CA--C 1.546 1.972 0 C-N-CA 126.965 2.221 . . . . 0.0 114.649 -169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -81.09 -51.64 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.04 1.736 . . . . 0.0 109.648 172.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 35.25 42.63 0.11 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.512 2.325 . . . . 0.0 114.645 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.04 53.36 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.338 1.447 . . . . 0.0 116.288 -169.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.3 144.19 40.4 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.718 1.607 . . . . 0.0 111.39 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -109.09 142.02 40.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.323 1.449 . . . . 0.0 112.671 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 156.75 46.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.739 2.016 . . . . 0.0 110.122 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.44 135.78 22.84 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.939 1.245 . . . . 0.0 112.778 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.22 113.95 22.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.563 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.87 -31.82 59.43 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.36 7.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.034 1.334 . . . . 0.0 114.581 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -129.13 12.11 6.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.084 1.753 . . . . 0.0 113.705 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm 37.74 42.31 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.579 1.952 . . . . 0.0 114.524 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -128.76 138.91 52.36 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.544 0.688 . . . . 0.0 112.375 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -101.67 145.71 28.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.615 2.366 . . . . 0.0 109.713 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.8 m -131.18 125.12 32.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.72 0.808 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.46 128.79 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 110.034 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -134.94 139.68 45.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 0.0 112.019 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.305 170.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.03 134.54 44.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 111.187 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.84 159.85 30.11 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.05 1.74 . . . . 0.0 111.438 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -134.88 152.78 52.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.704 1.202 . . . . 0.0 113.085 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -130.81 129.72 42.74 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.382 2.273 . . . . 0.0 110.087 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -110.68 128.15 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.467 1.507 . . . . 0.0 108.609 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.59 119.2 36.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.202 1.401 . . . . 0.0 110.995 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.04 115.19 23.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.879 1.671 . . . . 0.0 110.655 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 177.25 32.53 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.667 1.127 . . . . 0.0 114.618 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.14 -38.5 8.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.273 1.429 . . . . 0.0 111.564 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 m -77.42 -33.57 54.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.367 1.467 . . . . 0.0 112.487 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -151.86 151.77 31.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 111.863 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -136.44 157.09 47.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.233 1.813 . . . . 0.0 109.803 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.39 -173.89 45.87 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.84 136.53 24.28 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.575 1.95 . . . . 0.0 111.482 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -139.0 161.6 36.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.177 0.991 . . . . 0.0 113.66 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 141.52 27.17 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.09 1.356 . . . . 0.0 111.328 -172.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -145.88 166.05 27.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.118 1.767 . . . . 0.0 110.634 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -120.76 126.29 49.76 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.242 1.417 . . . . 0.0 110.867 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.23 167.88 20.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.112 1.765 . . . . 0.0 111.292 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.07 -39.73 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.98 172.39 16.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.3 1.44 . . . . 0.0 112.439 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.22 -31.94 61.87 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.957 1.303 . . . . 0.0 114.069 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -32.41 49.4 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.114 1.325 . . . . 0.0 111.543 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.7 m -68.99 -45.07 71.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.511 -1.368 . . . . 0.0 111.796 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.71 83.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.434 -1.416 . . . . 0.0 113.6 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.52 -42.03 99.25 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.314 0.646 . . . . 0.0 111.06 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.96 -45.77 87.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.643 -0.661 . . . . 0.0 112.215 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.7 -52.82 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 O-C-N 120.947 -1.095 . . . . 0.0 111.314 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.8 m-85 -60.47 -35.94 77.09 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -67.67 -26.25 66.1 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 172.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -40.71 96.07 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.125 1.33 . . . . 0.0 112.654 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -83.67 -34.91 24.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.596 1.158 . . . . 0.0 113.395 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -121.43 53.99 1.14 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -116.77 -42.5 2.96 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -145.15 13.53 1.44 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -56.25 -37.28 69.56 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.243 1.02 . . . . 0.0 111.519 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -24.73 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 127.907 2.67 . . . . 0.0 114.801 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.94 -54.51 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.489 1.144 . . . . 0.0 113.806 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 35.42 42.83 0.12 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 126.573 1.949 . . . . 0.0 114.309 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.86 175.13 35.09 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.88 119.04 23.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.096 1.758 . . . . 0.0 112.307 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -81.21 144.63 31.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.291 1.036 . . . . 0.0 113.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 m -138.89 154.68 48.4 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.709 2.404 . . . . 0.0 109.36 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -144.35 138.31 27.74 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.819 1.191 . . . . 0.0 113.154 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.1 104.77 11.17 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.134 2.174 . . . . 0.0 110.91 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.09 -34.8 78.37 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.538 1.535 . . . . 0.0 114.25 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.74 55.92 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -128.96 12.81 6.23 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.765 2.026 . . . . 0.0 113.595 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 43.12 45.24 4.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.938 1.695 . . . . 0.0 114.647 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 m -127.94 137.26 52.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -107.46 145.77 32.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.099 2.96 . . . . 0.0 109.711 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -135.26 122.53 21.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.017 0.927 . . . . 0.0 111.265 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -115.61 124.61 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.691 1.596 . . . . 0.0 110.634 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.9 m -135.06 115.83 13.91 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -169.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 124.776 1.231 . . . . 0.0 111.344 169.556 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ttp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.71 132.77 43.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.567 0.747 . . . . 0.0 111.858 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.7 159.72 30.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.007 1.723 . . . . 0.0 111.657 170.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.52 155.27 50.76 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.655 1.182 . . . . 0.0 112.688 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -133.32 135.26 44.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.502 2.321 . . . . 0.0 110.03 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -119.43 129.87 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.701 1.6 . . . . 0.0 108.846 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 tp -112.61 119.69 39.01 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.221 1.808 . . . . 0.0 110.562 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.64 131.55 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.668 1.187 . . . . 0.0 109.725 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.57 -173.41 43.91 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 115.335 0.894 . . . . 0.0 115.335 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -111.98 -12.62 13.71 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.869 1.668 . . . . 0.0 113.58 -173.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 45.6 m -113.56 -26.72 8.15 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.631 1.573 . . . . 0.0 112.336 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.44 144.48 24.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 111.374 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -131.57 151.61 51.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.022 1.329 . . . . 0.0 109.63 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.57 -173.48 44.42 Favored Glycine 0 N--CA 1.471 0.985 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -147.57 137.19 22.69 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.805 2.042 . . . . 0.0 110.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.0 p -139.32 165.76 26.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.321 1.048 . . . . 0.0 113.03 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.33 145.5 30.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.998 1.319 . . . . 0.0 111.181 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.436 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.2 t -143.87 166.14 25.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.949 1.7 . . . . 0.0 111.276 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.48 112.84 16.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.326 1.45 . . . . 0.0 109.995 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.7 166.28 21.08 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.311 1.444 . . . . 0.0 111.936 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.9 p -71.26 -38.08 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -155.24 168.62 26.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.352 1.461 . . . . 0.0 109.495 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -28.22 36.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.899 1.679 . . . . 0.0 112.693 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.26 62.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.746 1.218 . . . . 0.0 111.892 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 43.9 m -70.93 -42.77 69.42 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.894 -1.129 . . . . 0.0 111.988 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.81 88.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.832 -1.168 . . . . 0.0 113.561 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.25 -39.17 93.85 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 170.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -66.86 -43.8 82.64 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.68 -52.18 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.288 -1.507 . . . . 0.0 111.27 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.436 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.0 m-85 -61.07 -35.82 77.97 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.53 -20.42 60.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -72.8 -43.25 63.0 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.546 -1.346 . . . . 0.0 112.274 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.85 -40.82 62.99 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.19 -0.943 . . . . 0.0 112.625 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -110.56 33.54 4.47 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.727 1.611 . . . . 0.0 114.204 -171.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -55.62 -42.91 75.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -155.24 -71.24 0.12 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.5 1.52 . . . . 0.0 111.239 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 48.38 28.62 1.71 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 126.306 1.842 . . . . 0.0 114.846 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.32 2.43 7.13 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.843 2.64 . . . . 0.0 115.672 -171.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.3 -53.34 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.866 1.333 . . . . 0.0 109.851 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.99 42.56 0.46 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.141 2.176 . . . . 0.0 114.23 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.75 54.72 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.589 1.09 . . . . 0.0 114.572 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.58 137.58 46.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.786 1.235 . . . . 0.0 110.743 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -101.78 141.59 34.39 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.713 1.205 . . . . 0.0 112.033 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -138.77 152.77 48.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.87 2.068 . . . . 0.0 109.489 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -143.4 137.17 28.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.964 1.257 . . . . 0.0 111.844 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -117.98 111.77 19.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.781 2.032 . . . . 0.0 109.676 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.57 -34.14 62.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.499 0.72 . . . . 0.0 112.818 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.81 -12.05 6.59 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.769 1.628 . . . . 0.0 114.879 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -129.34 12.63 6.02 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.788 1.635 . . . . 0.0 114.218 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 40.07 41.3 0.9 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.536 1.934 . . . . 0.0 114.954 -174.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.4 m -126.02 136.88 53.48 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.714 -0.617 . . . . 0.0 112.414 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -104.25 145.59 30.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.558 2.343 . . . . 0.0 109.195 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.2 m -131.43 134.44 46.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.968 0.907 . . . . 0.0 109.943 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 t -123.44 127.09 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.403 1.481 . . . . 0.0 109.251 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.78 136.35 42.51 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.85 0.86 . . . . 0.0 112.648 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 124.281 1.032 . . . . 0.0 111.899 170.023 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.03 133.12 44.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.213 1.005 . . . . 0.0 111.412 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 159.26 31.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.216 1.806 . . . . 0.0 111.774 170.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -135.25 155.21 51.03 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.506 1.123 . . . . 0.0 113.106 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -133.37 125.26 28.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.892 2.477 . . . . 0.0 110.783 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.73 124.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.205 1.402 . . . . 0.0 109.346 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -113.66 115.94 28.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.302 1.441 . . . . 0.0 110.968 -171.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.2 112.89 19.65 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.13 1.772 . . . . 0.0 111.587 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 169.52 33.57 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.759 1.171 . . . . 0.0 114.438 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -79.32 -36.67 39.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.498 1.119 . . . . 0.0 113.283 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -88.85 -26.86 21.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.12 1.368 . . . . 0.0 113.916 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.86 147.28 26.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.206 1.402 . . . . 0.0 111.784 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -136.19 158.91 43.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.933 1.693 . . . . 0.0 109.994 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.87 -174.63 46.79 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -144.65 129.23 18.08 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.723 2.009 . . . . 0.0 111.481 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 p -134.85 159.3 41.83 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.73 141.13 29.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 111.064 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -142.98 166.05 25.7 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.036 1.735 . . . . 0.0 110.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -121.19 121.63 38.22 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.064 1.746 . . . . 0.0 109.84 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.7 27.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.384 1.474 . . . . 0.0 111.262 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.1 -40.94 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.764 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -150.08 167.61 26.28 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.803 1.241 . . . . 0.0 112.939 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.21 -28.73 28.35 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.163 1.785 . . . . 0.0 112.657 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.95 -41.91 61.32 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.823 1.649 . . . . 0.0 111.662 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -68.54 -46.32 69.81 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.56 -1.338 . . . . 0.0 112.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.22 90.14 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.96 -1.087 . . . . 0.0 113.376 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.7 -31.2 67.98 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.086 -0.959 . . . . 0.0 112.517 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.67 -48.47 79.15 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.189 1.359 . . . . 0.0 110.984 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.66 -51.38 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.346 -0.846 . . . . 0.0 111.264 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.02 -39.47 89.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.41 -20.43 63.8 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.8 -41.26 68.49 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.972 -1.705 . . . . 0.0 112.605 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -81.17 -25.01 37.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -133.6 117.52 17.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.971 1.308 . . . . 0.0 112.238 -175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -161.86 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.852 0.861 . . . . 0.0 112.877 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.86 10.8 2.01 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.597 1.959 . . . . 0.0 114.04 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -57.46 -35.91 70.77 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.23 1.012 . . . . 0.0 111.44 169.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.97 -36.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 117.724 1.85 . . . . 0.0 117.724 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.86 -47.5 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.922 1.361 . . . . 0.0 113.463 -172.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.12 44.21 0.39 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.417 1.887 . . . . 0.0 114.437 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.88 176.35 24.78 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.14 1.352 . . . . 0.0 116.25 -169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -79.28 133.93 36.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.564 1.945 . . . . 0.0 111.768 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -95.28 144.96 25.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.4 1.48 . . . . 0.0 113.465 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 m -138.95 155.85 47.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.902 1.681 . . . . 0.0 110.04 171.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -143.61 139.87 29.87 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.675 1.19 . . . . 0.0 112.493 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -118.07 106.49 12.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.652 1.981 . . . . 0.0 110.739 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.29 -31.62 72.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.99 1.716 . . . . 0.0 113.205 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.72 -27.06 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.263 1.425 . . . . 0.0 113.286 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -128.75 8.86 5.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.679 1.592 . . . . 0.0 112.737 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 39.74 42.12 0.93 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.536 1.934 . . . . 0.0 114.018 -172.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -129.1 134.58 48.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.994 0.902 . . . . 0.0 112.658 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.15 145.81 28.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.323 2.649 . . . . 0.0 109.904 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -125.4 144.59 50.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.099 0.959 . . . . 0.0 110.092 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 122.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 108.903 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 m -134.71 139.67 45.38 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 124.297 1.039 . . . . 0.0 111.373 169.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.6 tpp . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.79 130.5 35.8 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.018 0.927 . . . . 0.0 111.309 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -124.69 161.8 25.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.109 1.764 . . . . 0.0 111.777 172.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.5 155.28 50.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.936 1.294 . . . . 0.0 112.906 -171.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -134.67 125.2 26.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.366 2.266 . . . . 0.0 110.757 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.8 mt -105.87 128.57 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 109.162 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -110.71 119.77 40.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.188 1.795 . . . . 0.0 110.519 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -119.25 131.73 55.83 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.904 0.882 . . . . 0.0 109.118 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.18 -177.06 48.33 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.233 0.92 . . . . 0.0 114.439 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.8 -29.8 9.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.949 1.3 . . . . 0.0 112.767 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.6 p -76.75 -44.28 33.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.561 1.144 . . . . 0.0 111.128 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.45 146.02 30.43 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.496 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.47 151.97 50.37 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.099 1.36 . . . . 0.0 109.747 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.84 43.58 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -146.3 133.9 20.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.932 2.093 . . . . 0.0 111.156 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -135.21 165.73 24.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 0.0 112.948 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -145.63 145.7 31.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 110.425 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.9 t -142.93 165.36 27.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.958 1.703 . . . . 0.0 111.11 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -122.65 119.73 31.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.686 1.595 . . . . 0.0 108.283 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.29 154.95 50.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.781 1.632 . . . . 0.0 112.328 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.37 -35.2 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 122.962 0.505 . . . . 0.0 111.962 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -155.92 172.5 18.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.941 1.696 . . . . 0.0 110.626 172.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.49 49.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.937 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.87 78.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.301 1.841 . . . . 0.0 112.586 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -77.97 -37.05 48.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.638 -0.664 . . . . 0.0 111.448 172.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.8 99.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.421 -1.425 . . . . 0.0 113.645 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.54 -32.89 73.99 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 118.834 -0.603 . . . . 0.0 112.529 170.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.87 -47.55 84.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.827 0.739 . . . . 0.0 112.012 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.11 -52.02 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.136 -0.978 . . . . 0.0 111.645 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.7 m-85 -62.43 -35.44 79.26 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.9 -32.24 70.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.394 -0.816 . . . . 0.0 112.294 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -33.94 73.59 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.79 -1.194 . . . . 0.0 112.685 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -88.02 -29.24 20.86 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.27 7.99 3.96 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 -169.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -68.41 -28.87 67.47 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 122.337 2.335 . . . . 0.0 116.59 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.01 28.2 0.31 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.67 -36.35 78.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.232 1.015 . . . . 0.0 110.897 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.83 -21.61 0.11 Allowed Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.294 1.677 . . . . 0.0 117.294 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.81 -34.43 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 36.48 37.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.078 2.151 . . . . 0.0 114.495 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.86 174.95 50.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.278 1.418 . . . . 0.0 116.287 -169.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.13 135.61 47.74 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.708 1.603 . . . . 0.0 111.281 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -104.07 140.27 38.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.086 1.354 . . . . 0.0 111.481 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -138.89 157.37 46.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.915 2.086 . . . . 0.0 109.71 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -143.66 137.89 28.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.791 1.236 . . . . 0.0 112.44 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.11 109.11 16.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.132 2.173 . . . . 0.0 110.095 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.76 -35.57 70.12 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.36 12.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.199 1.799 . . . . 0.0 115.308 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -129.28 12.1 5.98 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.748 1.619 . . . . 0.0 114.854 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 45.93 32.24 1.28 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.893 1.677 . . . . 0.0 113.721 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 88.7 m -119.13 134.66 55.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.18 -0.95 . . . . 0.0 113.127 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.84 145.7 28.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.048 2.539 . . . . 0.0 110.031 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -126.95 138.37 53.27 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.818 0.847 . . . . 0.0 110.838 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.96 130.08 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.507 1.923 . . . . 0.0 109.384 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 94.4 m -134.66 121.33 20.69 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.683 0.793 . . . . 0.0 111.401 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 126.136 1.774 . . . . 0.0 112.477 177.45 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -72.91 134.38 44.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.996 0.918 . . . . 0.0 111.477 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -124.86 157.61 35.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.369 1.867 . . . . 0.0 111.545 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -132.8 155.25 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.603 1.161 . . . . 0.0 112.533 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.51 133.4 45.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.975 2.51 . . . . 0.0 110.17 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.61 123.88 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.686 1.594 . . . . 0.0 109.327 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.84 117.99 35.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.246 1.418 . . . . 0.0 110.529 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.24 110.97 17.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.917 1.687 . . . . 0.0 110.767 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.0 172.71 31.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.18 0.895 . . . . 0.0 114.897 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -77.64 -33.7 53.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.874 1.27 . . . . 0.0 112.99 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 p -83.83 -29.66 27.12 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.827 1.651 . . . . 0.0 114.068 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -151.87 149.36 28.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 112.472 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -140.75 138.97 34.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.816 1.246 . . . . 0.0 109.521 169.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.02 -170.59 43.74 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.271 1.269 . . . . 0.0 116.271 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -145.74 145.3 30.8 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.671 1.589 . . . . 0.0 113.244 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 p -136.58 161.95 34.48 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 142.67 31.87 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.151 1.38 . . . . 0.0 110.811 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.5 t -145.99 166.16 26.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.708 1.603 . . . . 0.0 110.587 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.84 127.77 52.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 110.565 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.22 166.0 24.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.112 1.765 . . . . 0.0 111.18 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -40.43 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.174 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.29 170.02 22.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.167 1.387 . . . . 0.0 110.498 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.67 17.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.006 1.723 . . . . 0.0 113.207 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.9 61.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.241 1.416 . . . . 0.0 111.372 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.2 m -70.47 -43.18 70.34 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.834 -1.166 . . . . 0.0 112.224 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.87 88.58 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.636 -1.29 . . . . 0.0 113.739 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.38 -31.18 67.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.643 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.36 -46.44 86.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.809 1.186 . . . . 0.0 111.194 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.44 -53.12 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 O-C-N 121.225 -0.922 . . . . 0.0 111.01 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -60.11 -38.23 82.36 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.46 -25.29 65.82 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.548 -0.72 . . . . 0.0 112.575 173.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.9 -39.7 87.52 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 119.601 -1.937 . . . . 0.0 112.43 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.55 -26.75 45.74 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -132.28 30.4 4.2 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -62.02 -56.42 19.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -158.05 25.67 0.26 Allowed 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -170.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -55.92 -42.5 76.2 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 122.288 1.042 . . . . 0.0 112.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.57 -31.76 0.07 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.301 1.68 . . . . 0.0 117.301 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.1 -44.1 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 117.998 0.899 . . . . 0.0 112.347 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.56 40.76 0.25 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.865 2.066 . . . . 0.0 114.27 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 169.8 52.33 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.499 0.959 . . . . 0.0 115.499 -169.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.89 121.68 18.55 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 110.279 169.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -82.23 142.27 32.29 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.904 0.882 . . . . 0.0 111.826 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.3 m -139.21 157.88 45.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.378 1.871 . . . . 0.0 109.987 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -143.09 141.32 31.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.867 1.267 . . . . 0.0 113.16 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.97 116.59 27.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.714 2.406 . . . . 0.0 111.904 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.52 -25.67 33.2 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.74 68.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.505 0.722 . . . . 0.0 112.407 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -128.66 1.32 5.5 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.607 1.563 . . . . 0.0 113.511 -171.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt 54.81 38.91 31.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.741 1.617 . . . . 0.0 112.558 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.28 135.94 53.77 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.712 0.768 . . . . 0.0 111.991 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -106.65 145.67 31.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.965 2.506 . . . . 0.0 109.99 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -128.87 144.26 51.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.944 0.898 . . . . 0.0 110.237 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.96 121.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.293 1.837 . . . . 0.0 108.738 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -134.9 139.61 45.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.528 1.131 . . . . 0.0 113.972 -172.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 124.097 0.959 . . . . 0.0 111.198 169.887 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 132.99 39.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.851 0.86 . . . . 0.0 111.236 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.58 157.22 35.95 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.483 1.513 . . . . 0.0 112.015 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -135.4 153.95 51.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.643 1.177 . . . . 0.0 112.339 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.2 130.62 44.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.39 2.276 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -115.3 123.97 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.655 1.582 . . . . 0.0 108.589 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 tp -113.62 119.3 36.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.685 1.594 . . . . 0.0 109.938 -173.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -120.19 113.41 20.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.182 1.393 . . . . 0.0 109.663 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.5 173.04 34.31 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.945 0.783 . . . . 0.0 114.28 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -88.73 -39.87 13.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.705 1.202 . . . . 0.0 111.68 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.4 m -66.7 -51.35 57.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.194 1.398 . . . . 0.0 111.166 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -145.81 149.13 33.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.963 1.305 . . . . 0.0 112.111 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -130.22 156.58 44.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.198 1.799 . . . . 0.0 109.917 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.21 -178.32 48.26 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 116.912 1.525 . . . . 0.0 116.912 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -148.59 128.75 13.69 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.257 2.223 . . . . 0.0 111.247 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -137.56 163.76 30.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.124 0.97 . . . . 0.0 113.119 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.75 144.5 31.85 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 111.267 -172.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -145.36 166.29 26.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.464 1.906 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.92 131.33 56.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.52 1.128 . . . . 0.0 110.114 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.49 159.87 40.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.995 1.718 . . . . 0.0 112.169 -174.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -69.51 -37.53 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.335 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.67 168.33 27.15 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.911 1.685 . . . . 0.0 110.816 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.83 35.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.174 1.79 . . . . 0.0 112.535 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.31 65.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.855 1.262 . . . . 0.0 113.236 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -81.21 -44.68 17.45 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.215 -0.928 . . . . 0.0 111.358 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.58 99.29 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.754 -1.216 . . . . 0.0 113.361 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.45 -42.33 95.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.843 0.857 . . . . 0.0 110.911 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.94 -43.71 95.05 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.31 -48.71 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.441 -1.412 . . . . 0.0 112.058 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.21 -37.23 86.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.784 -1.198 . . . . 0.0 113.381 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.04 -20.53 60.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -72.68 -35.84 67.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 112.372 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -81.3 -36.85 29.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -115.75 30.03 7.61 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.33 -37.82 62.66 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -158.31 -59.91 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.206 1.802 . . . . 0.0 110.285 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 63.99 -72.83 0.05 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 130.012 3.325 . . . . 0.0 112.895 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.78 16.6 0.12 Allowed Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.514 1.53 . . . . 0.0 114.992 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.01 -29.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 39.39 47.38 1.51 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.696 1.598 . . . . 0.0 113.744 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 160.69 42.65 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.274 0.94 . . . . 0.0 115.157 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.57 121.06 20.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.81 1.644 . . . . 0.0 110.65 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -84.95 140.16 31.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.792 0.837 . . . . 0.0 111.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.95 154.29 48.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.303 2.241 . . . . 0.0 109.201 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -143.95 139.15 28.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.612 1.096 . . . . 0.0 112.421 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -118.04 113.14 21.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.002 2.121 . . . . 0.0 109.776 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.23 -33.72 63.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.534 -0.729 . . . . 0.0 112.836 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.69 -19.83 2.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.203 2.201 . . . . 0.0 115.191 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 27.2 p -129.01 6.63 5.45 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.531 1.933 . . . . 0.0 113.824 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 38.05 40.19 0.29 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.09 1.756 . . . . 0.0 114.308 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.0 m -126.08 136.9 53.47 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.704 0.764 . . . . 0.0 112.371 -169.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.16 145.58 30.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.216 2.207 . . . . 0.0 109.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 40.4 m -130.14 137.04 49.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.264 1.025 . . . . 0.0 110.212 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.35 122.13 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.914 1.686 . . . . 0.0 109.17 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 86.4 m -134.86 140.05 45.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.408 1.083 . . . . 0.0 112.387 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 118.031 -0.985 . . . . 0.0 111.624 169.751 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.0 133.6 44.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.974 0.91 . . . . 0.0 110.969 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.84 156.71 37.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.787 1.635 . . . . 0.0 111.572 171.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.64 154.65 49.88 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.664 1.185 . . . . 0.0 112.701 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.62 115.57 13.99 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.724 2.41 . . . . 0.0 110.426 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -92.64 127.28 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.913 1.285 . . . . 0.0 108.933 172.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.6 tp -107.84 119.11 38.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.069 1.348 . . . . 0.0 111.142 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.99 134.98 55.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.428 1.491 . . . . 0.0 109.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.91 177.75 47.71 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -98.31 -5.86 32.1 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -128.94 -23.72 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.77 2.028 . . . . 0.0 113.818 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 142.57 23.0 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.006 1.722 . . . . 0.0 110.322 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -139.78 148.02 41.62 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.762 1.225 . . . . 0.0 110.611 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.35 -167.05 40.22 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.549 1.379 . . . . 0.0 116.549 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -144.24 131.63 20.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.328 1.851 . . . . 0.0 111.208 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 p -134.25 159.11 41.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.315 1.046 . . . . 0.0 112.56 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -146.33 140.95 26.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.798 1.239 . . . . 0.0 111.142 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -142.36 165.54 27.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.983 1.713 . . . . 0.0 110.47 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -118.41 122.72 43.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.617 1.567 . . . . 0.0 110.193 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.24 166.26 23.84 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.469 1.508 . . . . 0.0 111.326 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.48 -42.3 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.875 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.48 167.87 25.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.208 1.403 . . . . 0.0 112.001 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.2 -30.92 29.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.145 -1.843 . . . . 0.0 112.745 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.28 61.21 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.818 1.247 . . . . 0.0 112.037 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.4 m -69.52 -44.79 70.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.527 -1.358 . . . . 0.0 112.079 172.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.02 87.47 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.757 -1.214 . . . . 0.0 113.29 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.48 -39.89 94.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.351 0.66 . . . . 0.0 110.95 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -65.52 -45.71 82.43 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.484 -0.76 . . . . 0.0 112.93 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.12 -50.9 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.818 -1.176 . . . . 0.0 111.523 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.38 -40.56 91.28 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.313 -0.867 . . . . 0.0 113.072 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.96 -21.33 64.19 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.45 -43.68 63.42 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.41 1.459 . . . . 0.0 112.776 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -70.8 -27.96 64.29 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.96 31.31 6.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.79 -60.66 2.66 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.79 22.59 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.997 1.719 . . . . 0.0 113.624 -171.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.84 -32.06 72.36 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 121.108 -0.995 . . . . 0.0 111.55 174.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.78 -21.02 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.74 -62.37 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.711 1.255 . . . . 0.0 112.072 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 39.56 41.56 0.77 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.788 1.635 . . . . 0.0 113.709 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.13 -171.31 33.79 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.635 1.588 . . . . 0.0 117.067 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -87.88 118.26 27.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.253 1.821 . . . . 0.0 112.617 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -88.95 143.55 26.79 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.028 1.331 . . . . 0.0 113.513 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -139.01 156.82 46.92 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 127.544 2.337 . . . . 0.0 110.265 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -140.86 141.11 34.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.063 1.301 . . . . 0.0 114.15 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -117.97 118.63 32.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.89 2.876 . . . . 0.0 112.369 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -82.73 -28.22 30.61 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.42 -24.87 58.16 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.959 0.904 . . . . 0.0 112.995 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 p -128.7 -6.52 5.13 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.528 1.531 . . . . 0.0 113.704 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.24 44.21 22.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.585 1.554 . . . . 0.0 110.978 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 m -116.99 138.48 51.53 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.505 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.55 145.87 37.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.283 2.633 . . . . 0.0 109.138 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -133.51 121.77 22.65 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.479 0.712 . . . . 0.0 111.383 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.61 130.59 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.584 1.554 . . . . 0.0 110.16 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -134.85 140.07 45.53 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 127.291 2.237 . . . . 0.0 110.851 169.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -73.05 133.24 44.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.794 0.838 . . . . 0.0 111.448 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.66 158.49 33.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.947 1.699 . . . . 0.0 111.903 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.68 154.01 51.26 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.81 1.244 . . . . 0.0 112.576 -173.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.27 131.63 44.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.315 2.246 . . . . 0.0 109.863 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 45.4 mt -114.86 126.1 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.839 1.656 . . . . 0.0 108.484 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -111.8 119.48 38.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.364 1.466 . . . . 0.0 109.939 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.93 124.36 45.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.073 1.349 . . . . 0.0 109.207 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.15 173.41 45.52 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -83.73 -40.96 18.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.968 1.307 . . . . 0.0 113.491 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -82.43 -30.95 29.77 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.52 146.16 25.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.088 1.355 . . . . 0.0 112.771 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -131.04 154.85 47.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.038 1.735 . . . . 0.0 109.687 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.0 -173.96 42.9 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -145.96 133.92 21.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.634 1.974 . . . . 0.0 110.683 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.6 p -138.95 165.85 26.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.321 1.048 . . . . 0.0 112.833 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 145.31 30.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.381 1.472 . . . . 0.0 111.453 -170.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 166.31 26.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.262 1.825 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.39 120.76 29.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.354 1.061 . . . . 0.0 110.76 169.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.19 168.94 17.14 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.225 1.81 . . . . 0.0 111.405 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.98 -40.34 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.546 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.07 170.09 21.97 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.299 1.44 . . . . 0.0 110.256 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.2 -27.61 22.61 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.299 1.84 . . . . 0.0 113.218 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.54 -34.61 58.53 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.773 1.229 . . . . 0.0 112.152 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.1 m -75.79 -41.47 52.8 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.83 -1.169 . . . . 0.0 111.264 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.42 86.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.774 -1.204 . . . . 0.0 113.332 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.7 -40.16 96.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.753 0.821 . . . . 0.0 111.298 170.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.9 -44.55 89.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.2 -51.48 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 O-C-N 120.27 -1.519 . . . . 0.0 111.518 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.23 -38.24 82.79 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.3 -20.47 59.09 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.74 -43.59 68.55 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.791 -1.193 . . . . 0.0 111.779 169.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -75.93 -36.73 59.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.72 32.31 6.07 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.462 1.505 . . . . 0.0 114.249 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -51.32 -42.87 61.51 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -160.42 -51.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.622 1.969 . . . . 0.0 110.99 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.85 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 129.018 2.927 . . . . 0.0 113.267 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.99 29.27 0.65 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 127.118 2.294 . . . . 0.0 112.515 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.2 -54.12 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.414 1.485 . . . . 0.0 111.517 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 39.52 41.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.077 1.751 . . . . 0.0 113.922 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.48 174.85 54.98 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.818 1.199 . . . . 0.0 115.012 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.5 141.5 44.9 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.214 1.406 . . . . 0.0 111.251 170.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.94 141.95 37.34 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.212 1.405 . . . . 0.0 112.357 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -138.7 153.16 48.5 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.894 2.078 . . . . 0.0 109.705 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -145.33 144.0 30.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.731 1.212 . . . . 0.0 112.402 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.07 114.16 22.69 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.572 1.949 . . . . 0.0 111.427 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.74 -11.37 58.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.455 -1.403 . . . . 0.0 114.398 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.42 -20.11 55.07 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.315 3.0 t -129.71 7.32 5.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt 53.2 39.18 29.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.902 1.681 . . . . 0.0 114.033 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -126.12 139.72 53.15 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.229 . . . . 0.0 110.749 -172.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.27 145.58 39.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.776 2.43 . . . . 0.0 109.108 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.5 m -131.44 135.86 47.49 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.876 0.87 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.98 123.29 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.45 1.5 . . . . 0.0 109.608 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -134.99 139.91 45.25 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 113.07 -172.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.44 169.77 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.13 131.48 42.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.316 0.647 . . . . 0.0 110.812 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.9 159.08 31.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.76 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -134.46 154.91 51.17 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.768 1.227 . . . . 0.0 112.606 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.93 129.56 40.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.686 2.395 . . . . 0.0 110.489 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -111.41 124.76 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.474 1.509 . . . . 0.0 109.123 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 tp -112.14 116.22 30.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.789 1.236 . . . . 0.0 111.069 -172.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.14 114.39 21.88 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.881 1.672 . . . . 0.0 110.758 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.29 170.57 35.63 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.466 1.508 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -86.64 -35.72 19.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -75.69 -46.21 32.58 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.386 0.674 . . . . 0.0 111.61 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -144.4 150.18 37.31 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.348 1.459 . . . . 0.0 111.971 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.23 158.59 42.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.504 1.922 . . . . 0.0 109.905 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.17 -172.49 44.83 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 116.69 1.436 . . . . 0.0 116.69 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.78 133.64 21.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.597 1.959 . . . . 0.0 111.774 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 p -137.41 158.28 44.74 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -143.32 140.47 30.58 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.025 1.33 . . . . 0.0 111.33 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.17 166.17 26.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.915 2.086 . . . . 0.0 111.075 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.24 125.7 44.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.675 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 171.2 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.218 1.807 . . . . 0.0 111.168 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.16 -40.41 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.186 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -151.24 169.9 20.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.523 1.529 . . . . 0.0 112.654 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.13 51.13 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.142 1.377 . . . . 0.0 113.47 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.78 -36.91 49.98 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.3 1.04 . . . . 0.0 111.072 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -68.95 -44.22 73.43 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.674 -1.266 . . . . 0.0 111.794 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.56 82.09 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.775 -1.203 . . . . 0.0 113.41 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.74 -39.35 94.07 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.491 0.716 . . . . 0.0 110.691 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -65.81 -44.85 84.4 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.282 -0.886 . . . . 0.0 112.893 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -51.01 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 120.339 -1.475 . . . . 0.0 111.066 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.77 -39.85 82.19 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -67.58 -26.24 66.18 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.81 -41.71 67.91 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.159 -1.588 . . . . 0.0 112.732 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.07 -34.53 66.3 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -130.75 116.92 18.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.148 1.379 . . . . 0.0 113.217 -170.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -164.18 -39.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -159.8 15.85 0.15 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -56.73 -39.05 73.24 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.163 0.982 . . . . 0.0 110.706 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.62 30.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.229 0 N-CA-C 117.866 1.907 . . . . 0.0 117.866 -174.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.1 -49.16 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 42.13 41.89 2.22 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.657 1.583 . . . . 0.0 114.607 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.85 54.94 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.56 1.076 . . . . 0.0 114.934 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -74.3 123.1 23.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.918 1.287 . . . . 0.0 111.775 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -80.37 141.77 35.06 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 112.398 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -138.92 154.59 48.36 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.043 2.137 . . . . 0.0 109.748 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -142.54 136.61 29.46 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.636 1.107 . . . . 0.0 112.685 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -117.95 102.03 8.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.009 2.124 . . . . 0.0 110.55 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -29.79 69.8 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -20.85 47.86 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -129.02 12.69 6.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.691 1.997 . . . . 0.0 113.067 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt 42.09 44.1 3.0 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.044 1.738 . . . . 0.0 114.432 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.1 m -128.54 135.92 50.05 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.899 0.857 . . . . 0.0 112.591 -171.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -100.53 145.68 28.02 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.979 2.512 . . . . 0.0 109.707 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.5 m -127.04 148.61 50.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.087 0.955 . . . . 0.0 109.994 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.94 122.78 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.086 1.754 . . . . 0.0 108.736 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -134.84 111.6 10.02 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.773 1.229 . . . . 0.0 111.711 169.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -77.03 131.16 38.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.517 0.727 . . . . 0.0 110.964 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.72 158.41 33.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.869 1.668 . . . . 0.0 111.544 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.52 154.23 51.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.706 1.203 . . . . 0.0 112.923 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.62 114.93 13.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.183 2.193 . . . . 0.0 110.986 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -94.76 127.71 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.929 1.291 . . . . 0.0 109.277 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.84 119.8 40.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.622 1.969 . . . . 0.0 110.445 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.3 134.22 55.22 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.209 1.004 . . . . 0.0 108.989 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.33 48.45 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.36 -41.08 5.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.393 1.477 . . . . 0.0 112.016 -173.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 44.3 m -75.29 -31.8 60.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.698 1.199 . . . . 0.0 112.566 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -151.55 146.96 26.25 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.53 1.132 . . . . 0.0 113.255 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -132.61 150.16 52.2 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.272 1.429 . . . . 0.0 109.098 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.13 -174.55 45.96 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -146.76 134.22 20.82 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.993 2.117 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.8 p -136.69 164.95 27.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.856 0.863 . . . . 0.0 113.063 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -146.38 146.15 30.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.151 1.38 . . . . 0.0 111.016 -171.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.418 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 6.8 t -145.0 166.04 26.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.165 1.786 . . . . 0.0 111.525 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -126.66 115.02 18.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.193 1.397 . . . . 0.0 111.023 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.12 161.76 34.43 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.722 1.609 . . . . 0.0 111.899 -170.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.18 -36.17 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.86 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -153.62 169.31 23.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.203 1.801 . . . . 0.0 111.23 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.55 62.11 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.456 1.102 . . . . 0.0 113.21 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.06 -35.11 64.25 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.141 -0.974 . . . . 0.0 111.78 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.3 m -69.17 -43.38 74.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 111.549 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.36 94.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.642 -1.286 . . . . 0.0 113.583 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.69 -39.43 91.43 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.052 0.941 . . . . 0.0 110.964 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.51 -42.43 87.36 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.86 -50.37 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.359 -1.463 . . . . 0.0 111.565 171.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' B' ' 18' ' ' THR . 25.4 m-85 -62.76 -34.6 77.57 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.039 -1.038 . . . . 0.0 113.593 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.61 -20.39 60.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.82 -37.86 62.19 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.043 -1.036 . . . . 0.0 112.079 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -77.17 -33.0 56.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 172.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.6 29.79 7.02 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.395 1.478 . . . . 0.0 114.682 -170.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.98 -44.11 63.89 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -158.27 -70.86 0.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 26.94 59.96 0.09 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 128.849 2.86 . . . . 0.0 117.231 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.68 11.6 85.29 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 120.245 -1.534 . . . . 0.0 116.124 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.58 -60.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.949 1.3 . . . . 0.0 111.346 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 36.93 44.04 0.33 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.36 1.864 . . . . 0.0 114.297 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.52 178.95 47.63 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.047 1.308 . . . . 0.0 115.896 -169.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.98 140.84 37.92 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.443 1.497 . . . . 0.0 111.537 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -108.57 142.36 39.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.409 1.484 . . . . 0.0 112.75 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -138.87 154.81 48.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.912 2.085 . . . . 0.0 109.672 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -144.44 145.21 31.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.858 1.263 . . . . 0.0 112.882 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -117.97 116.34 26.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.17 2.188 . . . . 0.0 110.935 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.11 -28.18 61.23 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.124 -0.985 . . . . 0.0 113.585 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.4 59.95 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.346 2.7 t -129.17 10.52 5.83 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 53.97 33.25 17.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.463 1.505 . . . . 0.0 112.381 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -119.98 134.99 55.08 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.963 -170.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.76 145.62 29.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.593 2.357 . . . . 0.0 109.567 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -128.11 137.1 51.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.872 0.869 . . . . 0.0 110.348 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.01 128.16 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.91 1.684 . . . . 0.0 109.603 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.73 139.23 45.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.157 0.983 . . . . 0.0 111.378 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.227 1.011 . . . . 0.0 112.003 171.09 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.08 133.91 44.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.039 0.936 . . . . 0.0 111.705 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.82 160.02 29.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.461 1.904 . . . . 0.0 111.728 170.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -134.0 155.24 50.32 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.997 1.319 . . . . 0.0 112.941 -174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.31 130.44 37.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.748 2.419 . . . . 0.0 110.641 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.3 mt -112.35 125.12 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.45 1.5 . . . . 0.0 109.545 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.8 tp -108.16 119.09 38.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 0.0 111.469 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.02 112.83 19.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.31 1.844 . . . . 0.0 109.774 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.84 176.09 40.69 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.798 0.679 . . . . 0.0 114.798 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -93.21 -37.72 11.93 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.345 1.458 . . . . 0.0 111.517 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -75.05 -36.29 61.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.458 1.503 . . . . 0.0 112.668 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -151.94 150.52 30.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.308 1.443 . . . . 0.0 111.514 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.96 148.24 48.4 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.432 1.493 . . . . 0.0 109.163 169.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -173.14 44.09 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 116.712 1.445 . . . . 0.0 116.712 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -144.17 131.58 20.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.367 1.867 . . . . 0.0 111.348 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -133.61 162.4 32.02 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.232 1.013 . . . . 0.0 113.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.52 144.9 31.56 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.13 1.372 . . . . 0.0 110.928 -171.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.3 t -146.59 165.67 28.8 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.461 1.504 . . . . 0.0 110.845 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -122.7 126.14 46.96 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.004 1.321 . . . . 0.0 110.53 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 171.19 14.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.967 1.707 . . . . 0.0 110.971 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.19 -46.68 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.299 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -146.89 166.77 25.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.027 1.331 . . . . 0.0 113.572 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.78 -29.57 28.18 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.669 1.587 . . . . 0.0 113.039 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -41.66 49.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.324 1.05 . . . . 0.0 110.854 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -64.91 -47.18 78.68 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.73 -1.231 . . . . 0.0 112.003 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -38.07 82.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.812 -1.18 . . . . 0.0 113.646 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.87 -37.39 86.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.55 0.74 . . . . 0.0 110.749 171.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.94 -44.62 80.18 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.233 0.924 . . . . 0.0 112.905 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.84 -52.29 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.986 1.266 . . . . 0.0 110.783 173.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.1 m-85 -59.98 -36.32 76.89 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -66.56 -22.29 66.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 173.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -40.99 71.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.023 -1.673 . . . . 0.0 113.007 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -79.23 -25.68 42.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -130.11 111.26 12.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.056 1.343 . . . . 0.0 112.325 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -158.76 -63.55 0.08 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.354 1.062 . . . . 0.0 112.015 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -158.78 17.08 0.19 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.09 1.756 . . . . 0.0 114.796 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.66 -38.73 72.6 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.698 -0.626 . . . . 0.0 111.268 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.37 17.04 0.05 OUTLIER Glycine 0 N--CA 1.471 1.024 0 N-CA-C 117.849 1.9 . . . . 0.0 117.849 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.01 -46.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.15 43.28 1.88 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.986 1.314 . . . . 0.0 113.448 -170.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 172.55 51.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.93 129.82 34.92 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.382 2.273 . . . . 0.0 111.398 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -92.5 144.93 24.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.037 1.335 . . . . 0.0 113.498 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.99 156.47 47.2 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.027 1.731 . . . . 0.0 109.89 169.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -143.4 137.64 28.82 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.563 1.145 . . . . 0.0 112.759 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.14 110.02 17.1 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.151 2.18 . . . . 0.0 110.616 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -29.91 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.782 0.833 . . . . 0.0 113.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.51 -25.35 10.05 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 113.411 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.9 p -128.81 9.47 5.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.669 1.987 . . . . 0.0 112.442 -173.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.7 mmtm 38.16 43.61 0.59 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.526 1.93 . . . . 0.0 114.422 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -126.85 134.67 50.47 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.947 0.879 . . . . 0.0 112.656 -170.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.24 145.77 29.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.688 2.795 . . . . 0.0 110.033 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m -125.54 142.78 51.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.188 0.995 . . . . 0.0 109.973 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.67 124.26 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.302 1.841 . . . . 0.0 109.007 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.72 139.38 45.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.817 1.247 . . . . 0.0 113.291 -173.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 124.108 0.963 . . . . 0.0 111.466 169.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.31 133.43 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 111.296 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -124.72 156.53 37.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.103 1.761 . . . . 0.0 111.804 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -133.62 152.83 51.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 112.585 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -132.77 112.29 11.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.813 2.045 . . . . 0.0 111.129 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.64 123.89 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.315 1.446 . . . . 0.0 108.721 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HG11 ' B' ' 39' ' ' VAL . 30.8 tp -113.61 119.25 36.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.213 1.405 . . . . 0.0 110.116 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 123.29 42.89 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 13' ' ' LYS . . . -152.53 177.7 30.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.693 1.139 . . . . 0.0 114.584 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -101.35 -0.49 35.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.502 1.121 . . . . 0.0 113.341 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -131.31 -41.98 1.08 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.713 2.005 . . . . 0.0 110.783 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -136.32 145.45 45.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.114 1.365 . . . . 0.0 111.703 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' B' ' 9' ' ' GLY . 97.4 mttt -136.45 156.23 48.89 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.611 1.965 . . . . 0.0 110.203 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.14 -171.91 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 116.577 1.391 . . . . 0.0 116.577 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.59 131.66 23.16 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.49 1.916 . . . . 0.0 110.873 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -136.66 162.63 32.61 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.825 0.85 . . . . 0.0 112.942 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.92 143.74 30.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.457 1.503 . . . . 0.0 111.107 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -144.16 166.16 25.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 111.326 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -119.55 127.48 53.04 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.615 1.566 . . . . 0.0 109.297 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 156.77 48.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.713 1.605 . . . . 0.0 111.709 -171.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.65 -37.52 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.356 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -156.36 173.22 17.2 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.598 1.559 . . . . 0.0 110.898 173.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.06 -30.29 35.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.679 1.992 . . . . 0.0 113.345 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.83 46.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.888 1.275 . . . . 0.0 112.729 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -80.17 -39.21 29.77 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.244 -0.91 . . . . 0.0 111.039 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.56 88.68 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.761 -1.212 . . . . 0.0 112.268 169.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.66 -40.39 96.89 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.401 0.68 . . . . 0.0 111.721 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.49 -42.3 99.4 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.391 0.541 . . . . 0.0 112.34 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.42 -53.84 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.321 -0.862 . . . . 0.0 111.675 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.52 -34.42 77.75 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.19 -25.09 66.78 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.023 -1.048 . . . . 0.0 113.106 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -37.46 84.86 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.704 -1.248 . . . . 0.0 112.942 177.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -91.81 -27.68 17.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -122.35 21.57 10.28 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -53.93 -65.5 0.56 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -162.8 30.33 0.1 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.602 1.961 . . . . 0.0 113.307 -172.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.99 -33.77 76.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.58 23.77 0.02 OUTLIER Glycine 0 N--CA 1.479 1.549 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 173.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 7' ' ' LEU . 14.6 p -157.55 40.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.496 1.518 . . . . 0.0 111.496 -169.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -66.04 44.58 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 128.763 2.825 . . . . 0.0 114.122 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.95 -168.67 45.05 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 126.981 2.229 . . . . 0.0 116.413 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.57 115.08 10.33 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.083 1.353 . . . . 0.0 111.186 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -83.54 142.3 30.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.046 0.939 . . . . 0.0 111.425 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -138.93 155.47 48.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.29 2.236 . . . . 0.0 109.52 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -143.05 141.61 31.35 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.262 1.392 . . . . 0.0 113.493 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.05 120.05 36.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.194 2.598 . . . . 0.0 111.749 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.67 -29.95 29.61 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.063 -1.023 . . . . 0.0 112.989 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.67 -18.22 58.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.117 1.367 . . . . 0.0 114.19 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -128.89 -5.7 5.06 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt 54.19 40.41 31.65 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.755 1.222 . . . . 0.0 111.72 -174.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -116.52 138.39 51.43 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -170.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -112.36 145.58 39.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.7 2.0 . . . . 0.0 108.987 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.4 m -132.41 133.92 44.5 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.857 0.863 . . . . 0.0 109.888 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -125.32 127.35 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.341 1.456 . . . . 0.0 109.263 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -134.6 139.54 45.42 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -169.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 127.543 2.337 . . . . 0.0 110.683 169.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.28 133.98 36.64 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.032 0.933 . . . . 0.0 112.056 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.01 161.41 26.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.87 2.068 . . . . 0.0 111.815 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -135.56 155.31 50.68 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.869 1.268 . . . . 0.0 113.154 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.56 127.26 45.01 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.58 2.752 . . . . 0.0 109.598 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mt -106.69 125.07 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.581 1.552 . . . . 0.0 109.246 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.69 115.65 29.46 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.78 1.232 . . . . 0.0 110.974 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.14 115.82 24.43 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.599 1.56 . . . . 0.0 111.316 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 172.88 29.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.527 1.537 . . . . 0.0 113.672 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.63 -7.13 58.6 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -135.47 -20.05 1.62 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.996 1.718 . . . . 0.0 112.99 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -151.8 145.58 25.07 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.835 1.654 . . . . 0.0 110.545 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -141.27 152.91 44.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.882 1.273 . . . . 0.0 110.935 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.21 -170.76 43.91 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.36 140.67 30.61 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.935 1.694 . . . . 0.0 112.353 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.94 152.48 51.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.215 1.006 . . . . 0.0 112.927 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -142.38 141.39 32.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 110.696 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -151.31 161.35 42.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.388 1.075 . . . . 0.0 111.357 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.62 121.9 44.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.761 1.624 . . . . 0.0 109.797 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.07 174.04 11.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.726 1.61 . . . . 0.0 110.498 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.25 -44.74 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.929 -0.482 . . . . 0.0 110.371 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -152.02 171.19 18.22 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.96 42.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.31 1.444 . . . . 0.0 113.777 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.86 37.96 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.936 1.244 . . . . 0.0 111.717 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -66.18 -47.19 74.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.114 -1.616 . . . . 0.0 111.598 169.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.56 83.82 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.086 -1.009 . . . . 0.0 113.395 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.42 -40.67 97.82 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.813 0.845 . . . . 0.0 110.984 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.4 -46.52 82.94 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.885 0.766 . . . . 0.0 111.972 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.77 -51.67 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.712 1.142 . . . . 0.0 110.923 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -59.9 -40.59 89.29 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -65.79 -29.17 69.62 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.831 -0.604 . . . . 0.0 112.489 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.81 -44.0 91.3 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.333 1.879 . . . . 0.0 112.072 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -79.28 -25.78 42.43 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.22 29.16 5.18 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 -169.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -99.29 115.56 29.44 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.655 -1.278 . . . . 0.0 110.587 169.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 57.09 24.79 10.07 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -58.44 -42.05 86.45 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-O 123.221 1.486 . . . . 0.0 109.645 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.42 30.01 0.03 OUTLIER Glycine 0 N--CA 1.474 1.217 0 C-N-CA 126.74 2.114 . . . . 0.0 114.824 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.02 40.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.193 1.797 . . . . 0.0 110.492 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.98 44.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.378 2.671 . . . . 0.0 113.989 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.3 -170.73 44.12 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 127.116 2.293 . . . . 0.0 113.946 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.39 115.48 19.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.7 1.2 . . . . 0.0 111.895 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -80.02 136.14 36.52 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.453 0.644 . . . . 0.0 110.753 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -138.97 155.15 48.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.928 2.091 . . . . 0.0 109.815 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -141.94 141.58 32.96 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.941 1.246 . . . . 0.0 113.306 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.07 114.6 23.35 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.344 2.258 . . . . 0.0 112.132 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.52 -11.16 58.66 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.92 -24.67 52.44 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -128.91 11.17 6.04 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.156 1.782 . . . . 0.0 115.169 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 53.52 47.36 24.18 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.701 1.601 . . . . 0.0 113.19 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.0 m -133.46 138.8 46.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.838 0.855 . . . . 0.0 111.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -102.86 145.75 29.32 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.957 2.503 . . . . 0.0 109.043 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -127.81 147.15 50.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 110.026 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -132.92 121.88 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.805 1.642 . . . . 0.0 109.121 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -135.01 111.76 10.05 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.734 169.629 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -74.16 132.42 42.2 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.386 0.675 . . . . 0.0 111.367 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -124.7 159.14 31.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.902 1.681 . . . . 0.0 111.495 170.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -135.02 154.29 51.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.663 1.185 . . . . 0.0 112.646 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.23 130.07 42.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.606 2.362 . . . . 0.0 109.818 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.29 130.64 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.558 1.543 . . . . 0.0 108.81 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.7 tp -112.07 119.71 39.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.313 1.845 . . . . 0.0 109.754 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.3 132.36 56.62 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 172.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.09 -174.34 46.69 Favored Glycine 0 N--CA 1.469 0.888 0 N-CA-C 115.072 0.789 . . . . 0.0 115.072 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -112.53 -34.29 5.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.626 1.57 . . . . 0.0 112.165 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -76.31 -35.03 59.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.226 1.01 . . . . 0.0 112.674 169.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -151.8 152.05 32.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.828 1.651 . . . . 0.0 112.606 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -131.69 155.45 47.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.247 1.819 . . . . 0.0 108.728 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.76 -175.49 43.88 Favored Glycine 0 N--CA 1.476 1.312 0 N-CA-C 117.26 1.664 . . . . 0.0 117.26 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -149.23 132.57 16.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.098 2.159 . . . . 0.0 111.19 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -137.74 166.34 24.22 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 113.318 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 146.02 30.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.325 1.45 . . . . 0.0 111.318 -170.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.407 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -146.26 166.05 27.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.639 1.575 . . . . 0.0 111.125 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -124.81 114.08 18.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.496 1.518 . . . . 0.0 109.652 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.13 163.12 31.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.638 1.575 . . . . 0.0 112.575 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.83 -39.1 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.465 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.28 168.28 26.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.058 1.343 . . . . 0.0 111.307 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.32 38.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.553 1.941 . . . . 0.0 112.424 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.07 68.56 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.871 -1.143 . . . . 0.0 112.489 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -72.69 -45.21 59.97 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.883 -1.136 . . . . 0.0 111.706 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.24 92.93 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.61 -1.306 . . . . 0.0 113.472 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.89 -42.54 98.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.405 0.682 . . . . 0.0 110.898 170.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.04 -49.68 73.63 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.76 -51.57 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.817 1.189 . . . . 0.0 111.367 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.3 m-85 -60.85 -35.42 76.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.13 -24.0 60.55 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -39.04 82.54 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.092 -1.63 . . . . 0.0 112.201 170.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -77.98 -33.49 51.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -118.39 24.32 11.01 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.53 116.33 28.35 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.991 -1.693 . . . . 0.0 111.16 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 t70 54.2 26.42 6.68 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -57.59 -40.99 80.28 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 122.568 1.175 . . . . 0.0 109.562 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.71 -23.66 0.09 OUTLIER Glycine 0 CA--C 1.532 1.153 0 N-CA-C 117.6 1.8 . . . . 0.0 117.6 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.48 -48.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.845 1.323 . . . . 0.0 111.847 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 39.22 40.26 0.5 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.317 1.847 . . . . 0.0 113.536 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.71 -179.97 35.98 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.269 1.414 . . . . 0.0 114.92 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.57 140.69 41.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.841 1.256 . . . . 0.0 111.938 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -107.29 140.06 40.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.447 1.499 . . . . 0.0 112.176 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.98 155.35 48.07 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.412 1.885 . . . . 0.0 109.997 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -142.12 137.41 30.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.835 1.254 . . . . 0.0 111.951 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -118.08 112.49 20.28 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.653 1.981 . . . . 0.0 110.084 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.76 -32.88 62.2 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -10.02 11.7 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 12.9 t -129.2 12.51 6.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.034 1.734 . . . . 0.0 114.299 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 40.66 40.62 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.965 1.706 . . . . 0.0 114.947 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -127.47 137.13 52.6 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -104.91 145.72 30.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.222 2.609 . . . . 0.0 109.401 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.0 m -129.88 137.97 50.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.945 0.898 . . . . 0.0 110.274 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.61 130.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.266 1.826 . . . . 0.0 109.271 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.2 m -134.74 117.12 15.65 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.639 0.776 . . . . 0.0 111.759 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.141 1.776 . . . . 0.0 112.886 176.842 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.384 0.135 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -84.28 131.86 34.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 111.788 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.82 158.81 32.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.794 2.037 . . . . 0.0 112.122 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.16 153.65 49.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.885 1.274 . . . . 0.0 112.795 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.19 130.39 42.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.204 2.202 . . . . 0.0 110.677 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -111.58 127.02 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.533 1.533 . . . . 0.0 109.465 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -113.57 119.4 37.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.112 1.365 . . . . 0.0 111.688 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.81 125.9 49.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 110.469 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.18 174.54 43.02 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.134 1.35 . . . . 0.0 114.153 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -95.23 -32.21 13.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.469 1.108 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 p -77.86 -48.06 17.32 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.095 0.958 . . . . 0.0 111.881 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -145.86 146.58 31.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.165 1.386 . . . . 0.0 112.095 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -132.04 158.97 40.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.726 2.01 . . . . 0.0 110.556 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.08 -174.34 46.71 Favored Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -148.07 133.17 18.28 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.597 1.959 . . . . 0.0 112.202 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -135.37 161.01 36.63 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.55 141.84 27.4 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.277 1.431 . . . . 0.0 111.842 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -145.62 162.42 37.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.889 1.675 . . . . 0.0 111.426 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.79 122.56 43.73 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.761 1.624 . . . . 0.0 109.72 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.99 166.25 23.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.623 1.569 . . . . 0.0 111.791 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.21 -33.38 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.048 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.83 169.73 22.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.626 1.57 . . . . 0.0 108.709 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.0 44.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.793 1.637 . . . . 0.0 112.669 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.94 62.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.157 1.383 . . . . 0.0 112.304 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -71.48 -41.61 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.641 -1.287 . . . . 0.0 111.585 170.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.93 90.64 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.575 1.08 . . . . 0.0 112.834 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.38 -40.4 94.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.953 0.901 . . . . 0.0 111.28 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -64.66 -45.21 87.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 113.157 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.76 -50.92 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.562 -1.336 . . . . 0.0 111.139 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -58.8 -41.98 88.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.44 -29.77 69.98 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.51 -32.01 73.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.195 -1.565 . . . . 0.0 113.356 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -87.09 -23.33 24.94 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 171.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -124.13 15.16 9.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -169.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -90.39 132.13 35.78 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.715 -1.24 . . . . 0.0 110.494 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.51 12.37 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -57.92 -37.12 73.48 Favored 'General case' 0 CA--C 1.558 1.279 0 O-C-N 120.784 -1.198 . . . . 0.0 112.551 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.46 -29.67 0.19 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.911 1.72 . . . . 0.0 116.929 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.91 -42.15 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.055 1.427 . . . . 0.0 112.826 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 39.12 38.05 0.28 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.738 2.015 . . . . 0.0 114.288 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.79 174.34 49.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.976 1.274 . . . . 0.0 115.85 -169.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.84 131.94 35.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.194 1.798 . . . . 0.0 111.483 172.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -95.69 144.99 25.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.778 1.631 . . . . 0.0 112.796 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.96 153.28 48.17 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.912 1.685 . . . . 0.0 109.943 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -144.35 138.5 27.87 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.909 1.284 . . . . 0.0 112.169 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.0 106.77 13.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.878 2.071 . . . . 0.0 110.238 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -69.23 -27.92 65.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.93 0.892 . . . . 0.0 113.289 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -25.27 59.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.548 1.539 . . . . 0.0 113.8 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.4 p -128.73 8.23 5.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.794 1.638 . . . . 0.0 113.018 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 44.9 35.14 1.4 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.015 2.126 . . . . 0.0 113.051 -175.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.4 m -125.5 135.55 52.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 122.213 1.006 . . . . 0.0 113.001 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -108.74 145.96 34.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 129.36 3.064 . . . . 0.0 109.944 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -131.22 147.39 52.59 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.786 -1.196 . . . . 0.0 111.255 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.28 129.0 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.886 2.074 . . . . 0.0 108.896 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -134.44 129.84 35.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.316 1.046 . . . . 0.0 111.608 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.384 1.874 . . . . 0.0 112.415 -176.474 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.52 133.16 41.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.971 0.908 . . . . 0.0 112.291 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.63 156.47 37.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.867 1.667 . . . . 0.0 111.482 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -135.55 154.96 51.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.695 1.198 . . . . 0.0 112.795 -172.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -134.36 129.53 35.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.979 2.112 . . . . 0.0 110.916 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -112.92 127.51 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.485 1.514 . . . . 0.0 109.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -106.69 119.66 39.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.553 1.941 . . . . 0.0 110.781 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.85 117.21 27.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.092 0.957 . . . . 0.0 109.753 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.3 172.15 42.2 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -88.71 -31.59 18.39 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.903 1.281 . . . . 0.0 112.628 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -75.14 -49.06 20.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 0.0 111.65 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -142.7 147.89 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.514 1.126 . . . . 0.0 113.013 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -128.46 151.52 49.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.955 1.302 . . . . 0.0 110.104 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.34 -173.37 43.7 Favored Glycine 0 N--CA 1.474 1.232 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -147.35 136.81 22.69 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.585 1.954 . . . . 0.0 112.045 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -136.55 163.22 31.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.172 0.989 . . . . 0.0 113.554 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -145.1 143.75 30.57 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.195 1.398 . . . . 0.0 111.068 -173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -143.26 166.15 25.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.018 1.727 . . . . 0.0 111.771 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -127.9 110.07 12.2 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.437 1.495 . . . . 0.0 110.469 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.18 157.51 42.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.552 1.541 . . . . 0.0 111.82 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.24 -33.79 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.781 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -156.24 169.8 23.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.565 1.946 . . . . 0.0 110.793 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.69 62.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.577 1.151 . . . . 0.0 113.246 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.76 61.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.506 1.122 . . . . 0.0 112.069 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -72.37 -40.83 67.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.211 1.004 . . . . 0.0 111.549 170.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.32 94.21 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.529 -1.357 . . . . 0.0 112.865 170.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.55 -40.11 95.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.549 0.74 . . . . 0.0 112.146 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.5 -44.54 95.88 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.727 0.694 . . . . 0.0 111.952 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.54 -51.33 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.452 -0.78 . . . . 0.0 111.891 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -62.91 -35.79 81.24 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.691 -1.256 . . . . 0.0 113.8 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.78 -20.6 66.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.709 -1.244 . . . . 0.0 113.422 171.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.46 38.66 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.468 1.031 . . . . 0.0 112.637 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -79.44 -26.72 41.73 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.4 26.05 8.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.333 1.453 . . . . 0.0 114.409 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -50.57 -38.7 46.67 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.56 -60.12 0.05 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.489 1.515 . . . . 0.0 111.883 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m120 50.51 29.86 4.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.326 2.251 . . . . 0.0 115.05 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.18 32.71 9.82 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 126.991 2.234 . . . . 0.0 114.287 -170.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 -42.48 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.486 1.914 . . . . 0.0 111.485 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 35.81 46.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.338 2.255 . . . . 0.0 115.069 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.5 165.83 51.67 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.98 0.8 . . . . 0.0 114.983 -171.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.41 118.71 11.83 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 110.889 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -80.9 143.16 32.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.617 0.767 . . . . 0.0 111.783 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.1 m -139.02 156.72 46.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.276 2.23 . . . . 0.0 109.338 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -144.82 142.16 29.73 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.925 1.239 . . . . 0.0 113.3 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -118.16 117.27 28.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.195 2.198 . . . . 0.0 111.106 171.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.54 -25.79 38.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.89 -15.19 62.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.334 4.0 t -129.18 10.3 5.8 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 169.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt 52.26 35.15 16.2 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.458 -1.401 . . . . 0.0 113.416 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.35 133.99 55.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.413 0.625 . . . . 0.0 111.729 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.39 145.7 29.59 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.364 2.266 . . . . 0.0 109.353 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 52.2 m -130.49 142.83 50.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.927 0.891 . . . . 0.0 110.359 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.42 129.23 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.191 1.796 . . . . 0.0 109.165 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -134.56 126.75 29.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.851 0.86 . . . . 0.0 111.508 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.917 1.687 . . . . 0.0 112.378 178.36 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.13 136.48 44.84 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.94 0.896 . . . . 0.0 111.695 173.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.96 159.23 31.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.471 1.908 . . . . 0.0 111.248 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -133.88 155.17 50.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.721 1.208 . . . . 0.0 113.051 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.47 124.46 27.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.888 2.475 . . . . 0.0 110.463 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -101.53 125.67 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.242 1.417 . . . . 0.0 109.448 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 tp -110.28 114.44 27.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.652 1.181 . . . . 0.0 111.74 -173.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.29 130.98 54.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.471 1.508 . . . . 0.0 108.836 169.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.24 171.04 44.0 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 115.76 1.064 . . . . 0.0 115.76 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -77.25 -21.01 54.37 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.14 -19.08 6.13 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.381 1.472 . . . . 0.0 114.433 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -151.49 145.95 25.55 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.02 1.328 . . . . 0.0 111.429 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -137.99 156.06 48.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 109.977 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.31 -163.84 35.22 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -143.94 141.94 30.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.384 1.474 . . . . 0.0 112.656 171.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -138.11 160.54 39.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.369 1.067 . . . . 0.0 113.601 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -143.83 140.94 30.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.245 1.418 . . . . 0.0 110.863 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.4 t -145.03 166.16 26.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 0.0 110.509 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -117.16 127.42 54.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.576 1.55 . . . . 0.0 110.788 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 167.49 21.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.627 1.571 . . . . 0.0 111.558 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.28 -42.72 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.82 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -149.98 168.16 24.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.298 1.439 . . . . 0.0 112.973 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.01 53.54 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.803 1.241 . . . . 0.0 113.213 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.58 61.49 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.099 -1.001 . . . . 0.0 111.326 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -66.52 -47.57 72.52 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.686 -1.258 . . . . 0.0 112.143 170.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.53 83.53 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.639 -1.288 . . . . 0.0 113.595 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.493 0.717 . . . . 0.0 110.714 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.78 -48.8 75.45 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.643 0.656 . . . . 0.0 112.212 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.42 -50.41 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.602 1.092 . . . . 0.0 111.387 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.3 m-85 -60.97 -37.48 82.56 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.67 -23.5 65.33 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.46 78.51 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.157 -1.59 . . . . 0.0 113.415 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -86.6 -23.83 25.6 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -127.67 111.17 13.42 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.037 1.335 . . . . 0.0 111.75 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -171.66 -155.76 0.1 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.766 2.027 . . . . 0.0 109.842 -169.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.09 -6.31 0.06 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.913 2.485 . . . . 0.0 117.184 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -61.0 -35.72 77.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.285 0.634 . . . . 0.0 112.628 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.04 0.17 0.03 OUTLIER Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.76 65.37 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.542 1.537 . . . . 0.0 113.049 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -75.82 48.43 0.47 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.304 1.841 . . . . 0.0 108.84 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.43 -166.87 21.1 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 126.971 2.224 . . . . 0.0 117.475 -169.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.41 146.82 51.74 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.416 1.486 . . . . 0.0 111.661 175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -121.21 133.26 55.16 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.547 1.155 . . . . 0.0 114.087 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 t -139.26 166.71 23.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.773 0.829 . . . . 0.0 111.467 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -149.81 139.42 21.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.985 1.314 . . . . 0.0 112.776 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -118.03 101.47 8.28 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.007 2.123 . . . . 0.0 110.271 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.23 -33.19 74.96 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.02 -20.04 8.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.277 1.431 . . . . 0.0 114.546 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -128.82 8.76 5.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.088 1.755 . . . . 0.0 113.509 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 44.87 46.71 9.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.162 1.385 . . . . 0.0 114.173 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -125.6 136.25 53.06 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.594 0.711 . . . . 0.0 112.656 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -104.19 145.8 29.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.597 2.759 . . . . 0.0 109.62 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -125.72 147.05 49.49 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.741 -0.599 . . . . 0.0 110.502 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -130.42 127.26 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.892 1.677 . . . . 0.0 109.744 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -134.96 139.89 45.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 127.634 2.374 . . . . 0.0 109.846 169.68 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.12 131.61 35.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.637 0.775 . . . . 0.0 112.269 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -124.66 159.91 29.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.732 2.013 . . . . 0.0 111.656 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -135.49 155.16 50.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.527 1.131 . . . . 0.0 113.054 -173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.04 114.93 13.72 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.565 2.346 . . . . 0.0 110.607 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -95.55 125.99 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.902 1.281 . . . . 0.0 109.025 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -110.45 119.55 39.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.047 1.739 . . . . 0.0 110.263 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.88 129.69 54.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.613 1.165 . . . . 0.0 109.379 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.47 -171.47 43.77 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.12 0.866 . . . . 0.0 114.565 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -111.98 -34.93 5.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.823 1.249 . . . . 0.0 113.676 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 36.4 p -74.44 -34.59 63.24 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.25 -0.906 . . . . 0.0 112.781 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 147.06 26.28 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.303 1.441 . . . . 0.0 112.713 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -133.17 150.3 52.01 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.117 1.367 . . . . 0.0 109.838 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.61 44.26 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -145.47 131.86 19.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.947 2.099 . . . . 0.0 110.286 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.3 p -137.15 160.98 37.4 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.939 0.896 . . . . 0.0 112.352 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.49 143.97 29.32 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.03 1.332 . . . . 0.0 111.3 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -143.38 166.14 25.59 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.411 1.884 . . . . 0.0 111.91 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.74 111.23 13.45 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.254 1.422 . . . . 0.0 110.59 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.84 166.57 18.81 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.994 1.718 . . . . 0.0 112.204 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.15 -36.82 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -151.27 163.58 38.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.766 2.027 . . . . 0.0 108.795 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.62 -25.45 7.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.192 1.397 . . . . 0.0 113.786 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.48 71.01 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.658 1.583 . . . . 0.0 111.922 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -72.43 -40.7 66.91 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.183 -0.948 . . . . 0.0 111.322 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.3 89.95 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.643 -1.286 . . . . 0.0 113.979 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.92 -32.73 67.66 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.84 -47.09 87.94 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 118.933 0.788 . . . . 0.0 111.606 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.81 -52.54 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 121.239 -0.913 . . . . 0.0 111.754 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.95 -39.05 73.82 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 112.743 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.21 -20.39 63.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.57 -38.01 89.55 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.199 1.363 . . . . 0.0 112.581 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.95 -26.21 27.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.791 1.236 . . . . 0.0 113.91 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.66 28.06 8.54 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -63.31 73.02 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 127.379 2.272 . . . . 0.0 113.544 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 66.6 -59.68 0.35 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.818 2.847 . . . . 0.0 111.768 -169.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 38.88 37.6 0.22 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 169.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.05 10.66 71.36 Favored Glycine 0 N--CA 1.474 1.226 0 O-C-N 119.366 -2.084 . . . . 0.0 115.783 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.91 -41.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 118.584 1.192 . . . . 0.0 113.659 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 39.81 34.23 0.16 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.408 2.283 . . . . 0.0 116.333 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.49 165.0 47.73 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.464 1.031 . . . . 0.0 115.442 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.26 127.06 31.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.457 1.503 . . . . 0.0 110.422 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -90.47 140.79 29.39 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.752 0.821 . . . . 0.0 111.133 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -138.75 153.81 48.49 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.055 2.142 . . . . 0.0 109.114 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -143.16 139.14 30.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.174 1.352 . . . . 0.0 112.344 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.05 113.13 21.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.654 1.982 . . . . 0.0 109.794 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.98 -38.16 75.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.333 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.89 -11.24 7.28 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.722 . . . . 0.0 115.244 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -129.37 12.41 5.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.621 1.568 . . . . 0.0 114.395 169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 39.44 40.52 0.59 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.366 1.867 . . . . 0.0 115.046 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.6 m -125.91 136.09 52.64 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.69 -0.631 . . . . 0.0 112.161 -170.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.07 145.64 28.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.972 2.109 . . . . 0.0 109.426 173.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -127.38 137.79 52.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 110.026 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.43 127.14 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.228 1.411 . . . . 0.0 109.197 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -134.89 137.12 42.91 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.198 0.999 . . . . 0.0 112.001 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.439 170.1 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.399 0.142 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.95 132.93 44.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.874 0.87 . . . . 0.0 111.048 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.71 156.15 38.1 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.893 1.677 . . . . 0.0 111.443 170.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -135.59 155.31 50.66 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.468 1.107 . . . . 0.0 113.212 -172.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.63 134.08 40.82 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.182 2.193 . . . . 0.0 111.149 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -116.18 120.14 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.629 1.572 . . . . 0.0 109.939 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -99.21 119.46 37.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.08 1.752 . . . . 0.0 111.189 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.87 140.64 49.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.98 1.312 . . . . 0.0 110.187 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.67 178.61 45.62 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.035 0.826 . . . . 0.0 114.229 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -96.11 -37.03 10.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.291 1.436 . . . . 0.0 111.683 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 m -83.52 -29.8 27.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.342 1.457 . . . . 0.0 113.005 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -151.86 149.21 28.72 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.455 1.102 . . . . 0.0 112.475 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -135.89 155.61 50.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.331 1.453 . . . . 0.0 109.107 169.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.74 -172.83 43.85 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.15 136.64 24.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.154 1.782 . . . . 0.0 112.455 177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 p -134.65 160.06 39.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.143 0.977 . . . . 0.0 113.405 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.4 28.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.936 1.294 . . . . 0.0 110.857 -173.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.73 166.08 25.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.032 1.733 . . . . 0.0 111.361 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.06 117.99 26.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.993 1.717 . . . . 0.0 109.211 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.14 166.4 23.48 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.065 1.346 . . . . 0.0 111.249 -170.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -75.16 -25.59 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.402 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -163.32 165.09 24.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.599 1.56 . . . . 0.0 108.385 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -29.65 61.19 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.565 1.546 . . . . 0.0 112.506 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.7 52.31 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.244 1.417 . . . . 0.0 111.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 m -65.54 -46.05 81.04 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.596 -1.315 . . . . 0.0 112.197 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.43 91.47 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.175 -0.953 . . . . 0.0 113.052 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.12 -41.38 96.59 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.088 0.555 . . . . 0.0 111.408 171.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.36 -47.24 80.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.338 0.972 . . . . 0.0 112.665 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -55.81 -51.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.313 0.96 . . . . 0.0 110.552 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -59.32 -39.63 83.69 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.57 -22.83 67.08 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.25 -42.54 79.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.112 -1.618 . . . . 0.0 112.748 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -84.0 -19.83 33.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.682 1.193 . . . . 0.0 114.138 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -130.5 108.39 9.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.118 1.367 . . . . 0.0 112.394 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -171.17 -157.11 0.12 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.287 2.235 . . . . 0.0 109.925 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.06 -3.6 0.85 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -55.82 -34.18 65.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.481 0.712 . . . . 0.0 112.09 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.59 -15.98 0.02 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 117.781 1.873 . . . . 0.0 117.781 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.17 -50.48 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 119.281 1.541 . . . . 0.0 115.028 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 35.56 42.72 0.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.884 2.074 . . . . 0.0 114.33 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.19 172.57 54.73 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 116.33 1.292 . . . . 0.0 116.33 -169.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.55 116.06 13.69 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.741 1.616 . . . . 0.0 110.329 170.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -80.44 142.35 34.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.013 0.925 . . . . 0.0 112.194 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -138.95 153.07 48.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.025 2.13 . . . . 0.0 109.202 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -144.03 134.6 24.82 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.356 1.063 . . . . 0.0 112.391 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -118.16 102.24 8.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.693 1.997 . . . . 0.0 110.75 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.78 -31.18 71.65 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -19.85 15.05 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 114.018 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -128.79 12.73 6.31 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.829 2.052 . . . . 0.0 112.87 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 41.45 43.38 2.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.346 1.858 . . . . 0.0 114.765 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.9 m -129.75 137.46 50.56 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.816 0.817 . . . . 0.0 112.271 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.46 145.61 28.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.192 2.597 . . . . 0.0 110.074 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -129.17 141.0 51.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.035 0.934 . . . . 0.0 109.913 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.0 t -132.61 129.45 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.392 1.477 . . . . 0.0 109.402 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.9 m -134.68 138.83 44.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.539 1.135 . . . . 0.0 111.881 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 124.421 1.088 . . . . 0.0 112.119 173.296 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.48 132.63 40.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.427 0.691 . . . . 0.0 111.184 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.62 155.9 38.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.892 1.677 . . . . 0.0 111.303 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -135.44 155.21 50.91 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.485 1.114 . . . . 0.0 112.607 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.01 136.88 50.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.879 2.471 . . . . 0.0 110.04 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mt -117.8 118.4 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.772 1.629 . . . . 0.0 109.262 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 40.8 tp -97.5 119.59 36.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.57 1.948 . . . . 0.0 110.435 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.01 137.25 54.2 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.841 0.856 . . . . 0.0 108.718 169.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.08 171.84 40.26 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 114.909 0.724 . . . . 0.0 114.909 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -78.93 -29.06 43.9 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.29 1.436 . . . . 0.0 114.061 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -104.06 -24.23 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.329 1.452 . . . . 0.0 113.975 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.57 146.15 25.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.168 1.387 . . . . 0.0 113.025 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.95 150.95 50.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.44 1.096 . . . . 0.0 110.361 169.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -171.46 43.44 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.275 1.27 . . . . 0.0 116.275 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -147.56 142.86 27.31 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.032 1.733 . . . . 0.0 112.696 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -136.83 157.5 46.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.265 1.026 . . . . 0.0 113.219 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -142.8 141.68 31.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.922 1.289 . . . . 0.0 111.317 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -145.24 166.19 26.2 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.835 2.054 . . . . 0.0 111.528 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -128.38 118.34 23.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.954 1.302 . . . . 0.0 111.126 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.66 166.87 21.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.653 1.581 . . . . 0.0 111.754 -170.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.61 -34.8 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.072 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.83 167.51 29.43 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.187 1.795 . . . . 0.0 110.484 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -35.17 51.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.91 1.684 . . . . 0.0 112.713 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.57 63.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.706 1.202 . . . . 0.0 112.906 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -75.15 -41.21 58.75 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.437 -0.79 . . . . 0.0 111.142 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.42 98.89 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.865 -1.147 . . . . 0.0 112.868 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.23 -43.22 87.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.548 1.139 . . . . 0.0 111.047 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.34 -46.77 85.06 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.34 -47.95 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.464 1.029 . . . . 0.0 111.816 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.93 -41.75 98.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.052 -1.03 . . . . 0.0 112.883 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.67 -25.87 64.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -64.95 -43.42 92.77 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.361 -0.837 . . . . 0.0 112.674 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -75.36 -50.09 17.01 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.267 0.94 . . . . 0.0 112.676 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -85.13 30.05 0.62 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.721 1.608 . . . . 0.0 113.789 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.27 79.21 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 128.373 2.669 . . . . 0.0 114.011 173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 68.88 -66.84 0.23 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.732 2.813 . . . . 0.0 114.379 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 45.37 28.49 0.47 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.49 2.316 . . . . 0.0 115.838 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.55 29.97 18.88 Favored Glycine 0 CA--C 1.545 1.926 0 C-N-CA 128.086 2.755 . . . . 0.0 114.656 -171.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.99 -38.32 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.531 1.932 . . . . 0.0 110.638 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 32.63 44.6 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.734 2.814 . . . . 0.0 116.291 169.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.15 167.12 43.55 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.62 119.69 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.281 1.432 . . . . 0.0 110.013 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -81.28 137.93 35.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.365 0.666 . . . . 0.0 110.907 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -138.88 155.41 48.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.761 2.024 . . . . 0.0 108.752 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -143.14 138.72 29.99 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.523 1.129 . . . . 0.0 112.536 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.22 109.45 16.37 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.425 1.89 . . . . 0.0 110.334 170.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.77 -37.13 85.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.032 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -11.24 18.75 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.23 12.44 6.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.987 1.715 . . . . 0.0 114.291 170.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.61 40.88 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.044 1.738 . . . . 0.0 115.035 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 93.4 m -126.88 138.19 53.27 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.524 0.678 . . . . 0.0 112.556 -170.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -104.53 145.82 29.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.259 2.624 . . . . 0.0 110.045 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -129.73 142.83 50.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.179 0.991 . . . . 0.0 110.321 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.1 t -130.06 120.84 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.159 1.784 . . . . 0.0 108.982 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.2 m -135.06 139.85 45.09 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.474 1.11 . . . . 0.0 111.487 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 119.406 1.003 . . . . 0.0 111.008 169.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.503 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 22.9 ptp . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 111.517 0.192 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.15 135.16 44.65 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.118 0.967 . . . . 0.0 111.927 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -124.91 159.17 31.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.288 1.835 . . . . 0.0 111.615 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -135.45 154.33 51.47 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.691 1.196 . . . . 0.0 113.186 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -133.25 126.83 32.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.713 2.405 . . . . 0.0 110.758 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.57 129.99 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.602 1.561 . . . . 0.0 109.535 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.7 tp -111.69 119.68 39.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.213 1.405 . . . . 0.0 111.567 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.68 139.27 51.24 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.45 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.05 -177.04 41.34 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.528 1.537 . . . . 0.0 114.337 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -107.81 -1.17 21.11 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.221 1.408 . . . . 0.0 113.447 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 m -138.24 -20.62 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.095 1.758 . . . . 0.0 112.75 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -151.68 144.11 24.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.496 1.518 . . . . 0.0 110.843 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -140.38 155.9 46.59 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.696 1.598 . . . . 0.0 110.801 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.69 -172.18 45.21 Favored Glycine 0 N--CA 1.473 1.147 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -146.69 140.92 26.3 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.339 1.856 . . . . 0.0 111.804 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 p -138.89 159.32 42.41 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -139.67 143.11 36.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.334 1.454 . . . . 0.0 110.828 -176.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.455 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -144.86 165.85 26.94 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.639 1.575 . . . . 0.0 110.883 -177.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.6 120.95 35.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.724 1.61 . . . . 0.0 110.268 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 165.63 25.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.376 1.471 . . . . 0.0 111.112 -173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -66.43 -44.07 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p30 -149.91 166.93 28.1 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.331 1.452 . . . . 0.0 113.762 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.77 19.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.833 1.653 . . . . 0.0 113.777 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -41.86 41.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.059 1.344 . . . . 0.0 110.548 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -68.35 -47.96 66.1 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.65 -1.281 . . . . 0.0 112.122 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.47 76.15 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.708 -1.245 . . . . 0.0 113.938 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -75.49 -28.8 59.33 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.596 170.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -65.28 -41.33 94.29 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.883 1.219 . . . . 0.0 111.573 170.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.2 -52.22 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.843 -1.16 . . . . 0.0 110.929 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.9 m-85 -62.4 -32.15 72.93 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -62.12 -27.71 69.13 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.808 0.731 . . . . 0.0 112.595 170.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -41.17 66.04 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.18 -1.575 . . . . 0.0 112.532 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -81.27 -26.21 35.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -131.36 117.08 18.41 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.93 1.292 . . . . 0.0 112.497 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.43 -151.86 0.05 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 126.412 1.885 . . . . 0.0 111.095 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.56 -6.58 3.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.699 2.799 . . . . 0.0 116.247 172.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -49.44 -40.73 37.77 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.858 0.863 . . . . 0.0 111.812 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.2 -39.6 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 116.796 1.479 . . . . 0.0 116.796 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.22 -47.22 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.71 1.255 . . . . 0.0 113.664 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 37.46 38.58 0.14 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.391 1.876 . . . . 0.0 114.749 -172.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.01 44.89 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.025 1.298 . . . . 0.0 115.896 -169.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.5 120.57 22.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.329 1.451 . . . . 0.0 112.008 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -83.04 144.67 29.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.227 1.011 . . . . 0.0 113.536 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -138.79 153.25 48.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.409 1.884 . . . . 0.0 109.955 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -141.37 140.29 33.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.688 1.195 . . . . 0.0 113.095 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -117.92 118.8 32.97 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.784 2.434 . . . . 0.0 111.576 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -82.61 -31.88 28.64 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.16 -0.962 . . . . 0.0 113.098 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.6 -24.04 54.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.935 0.894 . . . . 0.0 112.79 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.2 p -128.77 2.98 5.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.988 1.715 . . . . 0.0 113.514 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 45.4 mmtm 53.71 39.37 30.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.376 1.47 . . . . 0.0 112.234 175.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -125.07 137.7 54.2 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.637 -169.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.95 145.74 34.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.243 2.617 . . . . 0.0 109.23 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.3 m -127.55 146.86 50.38 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.684 0.794 . . . . 0.0 110.428 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.95 128.98 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.668 1.987 . . . . 0.0 108.411 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.76 111.78 10.22 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 126.409 1.883 . . . . 0.0 113.578 177.549 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -73.08 131.39 42.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.902 0.881 . . . . 0.0 111.514 174.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.68 159.34 31.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.752 1.621 . . . . 0.0 111.74 171.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -134.89 153.03 52.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.548 1.139 . . . . 0.0 112.828 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.38 133.15 44.99 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.257 2.223 . . . . 0.0 110.172 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.17 125.59 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.736 1.615 . . . . 0.0 108.421 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.56 119.38 37.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.927 1.691 . . . . 0.0 109.223 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.4 121.54 38.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.795 1.238 . . . . 0.0 109.817 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.37 166.29 35.24 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.472 1.034 . . . . 0.0 114.421 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -73.8 -35.37 64.88 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 0.0 113.729 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.6 p -90.86 -34.07 15.4 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.422 1.089 . . . . 0.0 113.426 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 tt -147.29 143.21 27.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.156 1.382 . . . . 0.0 112.044 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -135.44 152.47 51.42 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.345 1.458 . . . . 0.0 111.13 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.05 -174.64 46.67 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.166 1.226 . . . . 0.0 116.166 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.51 140.2 23.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.756 2.023 . . . . 0.0 111.389 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -139.29 164.14 30.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.297 1.039 . . . . 0.0 113.362 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -142.18 144.92 33.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.405 1.482 . . . . 0.0 110.932 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.442 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -143.63 166.17 25.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.314 1.846 . . . . 0.0 111.186 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -128.69 114.67 16.92 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.113 1.365 . . . . 0.0 110.398 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.88 166.25 22.74 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.74 1.616 . . . . 0.0 111.193 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.73 -39.73 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.344 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -154.18 171.62 18.89 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.003 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -29.44 41.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.226 1.81 . . . . 0.0 113.088 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.33 57.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.106 0.963 . . . . 0.0 111.868 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -71.41 -44.85 64.13 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.735 -1.228 . . . . 0.0 111.326 171.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.53 86.05 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.856 -1.153 . . . . 0.0 113.524 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.55 -42.49 99.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.367 0.667 . . . . 0.0 111.153 170.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.28 -49.51 75.39 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 122.01 -0.431 . . . . 0.0 112.018 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.38 -51.72 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.185 0.994 . . . . 0.0 111.32 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.5 m-85 -59.07 -36.21 74.69 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.48 -20.38 62.08 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 172.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.05 -45.16 74.67 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.659 -1.275 . . . . 0.0 112.17 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.59 -40.28 50.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.315 1.046 . . . . 0.0 113.26 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -110.97 30.97 6.39 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.7 -40.28 69.02 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -159.51 -60.1 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.578 1.951 . . . . 0.0 110.192 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 66.22 -77.62 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.817 3.247 . . . . 0.0 111.44 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.28 11.12 0.32 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.282 1.42 . . . . 0.0 115.565 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.54 -26.03 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -171.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 40.04 45.3 1.62 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.646 1.579 . . . . 0.0 113.835 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 158.07 41.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.966 0.793 . . . . 0.0 114.791 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.74 125.39 26.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.386 1.475 . . . . 0.0 110.519 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -89.61 138.18 31.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.61 0.764 . . . . 0.0 111.597 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.7 m -138.72 152.23 47.82 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.842 2.057 . . . . 0.0 109.288 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -144.34 138.92 28.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.09 1.314 . . . . 0.0 111.935 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -118.01 111.98 19.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.633 1.973 . . . . 0.0 109.538 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -70.31 -36.79 74.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.947 1.299 . . . . 0.0 112.466 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.81 14.93 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -129.52 12.66 5.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.534 1.534 . . . . 0.0 114.795 169.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt 42.59 39.55 1.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -126.11 136.89 53.44 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -106.92 145.62 31.99 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.596 2.358 . . . . 0.0 109.296 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 45.0 m -132.06 135.44 46.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.433 1.093 . . . . 0.0 110.062 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.14 120.23 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.71 1.604 . . . . 0.0 108.834 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.9 m -134.89 139.98 45.42 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.469 1.108 . . . . 0.0 112.752 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 117.927 -1.035 . . . . 0.0 111.54 169.719 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.49 134.54 43.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.001 0.92 . . . . 0.0 111.708 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.84 158.08 34.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.434 1.894 . . . . 0.0 111.222 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -134.48 154.73 51.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.737 1.215 . . . . 0.0 112.899 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.63 126.43 29.16 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.478 2.311 . . . . 0.0 110.678 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -105.01 124.51 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.088 1.355 . . . . 0.0 109.44 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.2 tp -108.07 119.29 39.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.913 1.285 . . . . 0.0 111.455 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.83 126.1 50.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.097 1.359 . . . . 0.0 110.065 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.12 174.65 44.85 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.535 1.064 . . . . 0.0 114.776 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmpt? -91.08 -30.25 16.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.116 1.366 . . . . 0.0 112.972 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -99.64 -21.31 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.18 1.792 . . . . 0.0 114.031 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.51 141.43 22.02 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.566 1.546 . . . . 0.0 111.694 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.39 136.05 32.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.349 1.46 . . . . 0.0 110.241 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.78 -170.97 43.07 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.14 133.12 21.32 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.632 1.973 . . . . 0.0 111.437 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -134.57 162.48 32.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.176 0.99 . . . . 0.0 113.398 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.43 143.56 29.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.855 1.262 . . . . 0.0 111.335 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -144.32 165.84 26.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -121.89 124.06 43.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.164 1.386 . . . . 0.0 110.492 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.27 164.95 26.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.983 1.713 . . . . 0.0 111.334 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.5 -38.7 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.357 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -152.59 168.97 23.84 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 111.76 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.9 -28.9 54.11 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.81 1.244 . . . . 0.0 113.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.57 56.82 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.423 1.089 . . . . 0.0 111.483 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 m -69.47 -43.65 72.78 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.686 -1.259 . . . . 0.0 111.667 170.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.04 86.57 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.545 -1.347 . . . . 0.0 112.896 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -43.23 97.65 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.146 0.579 . . . . 0.0 110.55 169.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.56 -49.69 74.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.358 0.527 . . . . 0.0 111.588 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.25 -51.54 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.339 -0.85 . . . . 0.0 111.689 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -61.76 -38.05 86.55 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -68.06 -29.51 68.49 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.921 -0.487 . . . . 0.0 112.166 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.71 -37.59 87.94 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 119.736 -1.853 . . . . 0.0 112.332 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.48 -27.12 22.86 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -139.29 23.44 2.54 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 119.677 3.214 . . . . 0.0 119.677 -169.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -95.65 -37.72 10.69 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 119.089 -2.257 . . . . 0.0 114.275 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -143.38 9.83 1.64 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 -169.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.07 -28.26 69.34 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.934 -1.104 . . . . 0.0 111.806 170.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.01 -18.11 0.05 OUTLIER Glycine 0 N--CA 1.476 1.346 0 N-CA-C 117.638 1.815 . . . . 0.0 117.638 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.82 -54.79 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 117.912 0.856 . . . . 0.0 112.33 -173.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 39.24 37.86 0.29 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.407 1.883 . . . . 0.0 114.424 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.07 -176.97 40.78 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.386 1.47 . . . . 0.0 115.032 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.6 125.65 32.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.939 1.296 . . . . 0.0 112.251 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -92.56 144.85 24.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.163 1.385 . . . . 0.0 113.422 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 m -139.0 156.04 47.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.346 1.858 . . . . 0.0 110.174 172.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -144.36 137.29 27.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.534 1.133 . . . . 0.0 113.12 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -118.32 103.27 9.65 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.857 2.063 . . . . 0.0 111.233 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.03 -34.85 73.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.987 1.315 . . . . 0.0 113.636 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.25 -21.67 35.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.617 1.167 . . . . 0.0 114.136 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -128.98 12.63 6.19 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.583 1.953 . . . . 0.0 112.948 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 40.37 44.82 1.73 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.168 1.787 . . . . 0.0 114.665 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -127.71 134.62 49.56 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.882 0.849 . . . . 0.0 112.488 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -101.09 145.82 28.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.029 2.932 . . . . 0.0 109.666 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.6 m -125.22 146.36 49.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.733 0.813 . . . . 0.0 110.383 171.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -133.17 127.6 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.127 1.771 . . . . 0.0 109.93 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -134.65 111.69 10.21 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 113.372 176.579 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.55 133.89 42.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.686 0.794 . . . . 0.0 111.2 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.64 160.46 28.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 111.639 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -135.48 153.36 51.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.977 1.311 . . . . 0.0 112.212 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.39 111.02 10.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.747 2.019 . . . . 0.0 110.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mt -87.79 126.28 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.881 1.272 . . . . 0.0 108.607 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.2 tp -113.65 119.65 38.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 110.002 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.86 139.15 52.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.1 -178.6 37.02 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.135 1.35 . . . . 0.0 114.164 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -106.4 5.57 29.59 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.538 1.535 . . . . 0.0 113.736 -176.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.2 m -143.06 -41.71 0.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.913 1.685 . . . . 0.0 111.779 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -138.55 143.25 39.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.962 1.305 . . . . 0.0 111.146 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.27 162.13 33.02 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.615 1.966 . . . . 0.0 110.506 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.61 -170.49 43.13 Favored Glycine 0 N--CA 1.473 1.145 0 N-CA-C 116.552 1.381 . . . . 0.0 116.552 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -144.38 128.29 17.42 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.052 2.141 . . . . 0.0 110.337 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.8 p -133.44 166.32 22.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.127 0.971 . . . . 0.0 112.803 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.22 143.99 29.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.119 1.368 . . . . 0.0 111.752 -169.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -148.09 166.24 28.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.843 1.657 . . . . 0.0 111.204 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -124.58 124.56 42.5 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.675 1.19 . . . . 0.0 111.64 170.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.6 31.4 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 126.417 1.887 . . . . 0.0 112.0 -171.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.1 -38.02 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.458 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -155.07 170.37 21.94 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.726 1.61 . . . . 0.0 110.307 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.89 34.16 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.304 1.842 . . . . 0.0 112.957 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.71 71.4 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.92 1.688 . . . . 0.0 112.331 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -79.28 -39.04 33.96 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.29 -0.881 . . . . 0.0 111.304 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.05 94.2 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.539 -1.351 . . . . 0.0 113.944 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.78 -31.66 69.72 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.84 -44.3 93.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.049 0.84 . . . . 0.0 112.382 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -50.6 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 120.438 -1.414 . . . . 0.0 111.887 173.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.1 -38.36 86.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 113.301 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.88 -22.51 60.75 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.15 -0.969 . . . . 0.0 113.28 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -67.68 -35.92 79.73 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.76 1.164 . . . . 0.0 112.827 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.76 -37.93 39.95 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.81 27.89 9.12 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -58.26 -54.69 44.14 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -164.82 22.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.523 1.929 . . . . 0.0 114.219 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -59.62 -34.06 72.3 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.19 -31.98 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 N-CA-C 117.039 1.576 . . . . 0.0 117.039 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -67.9 -48.4 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 118.903 1.351 . . . . 0.0 113.419 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 37.74 39.36 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.495 1.918 . . . . 0.0 114.353 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.33 173.72 51.82 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.673 1.13 . . . . 0.0 115.669 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.74 120.05 18.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.326 1.451 . . . . 0.0 110.784 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -85.36 139.96 31.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.934 0.894 . . . . 0.0 111.719 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 m -138.86 154.91 48.46 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.404 2.282 . . . . 0.0 109.723 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -144.58 143.25 30.71 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.087 1.312 . . . . 0.0 112.998 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.06 119.2 34.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.535 2.334 . . . . 0.0 111.237 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.61 -26.69 32.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.299 -0.875 . . . . 0.0 113.318 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.26 -18.67 65.3 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -128.88 2.22 5.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.768 -1.56 . . . . 0.0 114.55 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt 50.74 36.12 13.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.626 1.57 . . . . 0.0 112.453 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.95 134.56 54.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.367 -170.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.12 145.69 29.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.922 2.089 . . . . 0.0 109.364 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -128.3 138.69 52.52 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.822 0.849 . . . . 0.0 110.351 173.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.73 130.51 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.801 1.641 . . . . 0.0 108.93 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.6 m -134.67 137.07 43.27 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.296 0.638 . . . . 0.0 112.25 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 C--O 1.248 0.997 0 C-N-CA 128.488 2.715 . . . . 0.0 108.781 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -80.77 135.59 36.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.737 0.815 . . . . 0.0 111.995 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.93 159.36 31.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.033 2.133 . . . . 0.0 111.276 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -135.52 155.21 50.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.304 1.042 . . . . 0.0 113.322 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -134.56 129.83 35.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.941 2.496 . . . . 0.0 110.15 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -112.82 126.54 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.106 1.362 . . . . 0.0 109.78 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.3 tp -106.67 119.39 39.18 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.468 1.507 . . . . 0.0 111.355 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.6 135.96 54.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.214 1.405 . . . . 0.0 110.41 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.28 -175.99 46.03 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -109.75 -35.31 6.22 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.379 1.472 . . . . 0.0 111.972 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 m -77.63 -34.25 53.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.704 1.201 . . . . 0.0 112.263 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.72 149.46 29.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.151 1.381 . . . . 0.0 111.648 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -136.87 155.48 49.72 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.666 1.586 . . . . 0.0 109.509 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.17 -169.35 40.32 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.782 1.473 . . . . 0.0 116.782 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -144.24 142.63 30.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.352 1.861 . . . . 0.0 111.692 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -137.83 155.5 48.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.927 0.891 . . . . 0.0 113.377 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.49 140.09 25.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.831 1.252 . . . . 0.0 110.684 -171.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -152.72 163.55 39.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.66 1.184 . . . . 0.0 111.612 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.05 124.22 51.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.076 1.751 . . . . 0.0 110.512 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 165.11 26.5 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.557 1.543 . . . . 0.0 111.752 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.07 -40.55 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -152.03 169.7 21.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.582 1.553 . . . . 0.0 110.881 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.4 35.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.483 1.913 . . . . 0.0 112.704 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.71 -37.76 65.06 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.892 1.277 . . . . 0.0 112.217 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 m -70.93 -43.6 67.88 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.645 -1.285 . . . . 0.0 112.262 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.48 89.94 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.794 -1.191 . . . . 0.0 113.014 171.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.311 0.645 . . . . 0.0 110.908 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -65.96 -45.69 80.85 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.169 0.895 . . . . 0.0 113.204 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.6 -49.16 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.33 -1.481 . . . . 0.0 111.528 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.53 -41.7 94.98 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -67.83 -27.29 66.58 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.295 -0.878 . . . . 0.0 112.657 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.95 -32.41 73.88 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 119.574 -1.954 . . . . 0.0 112.829 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -91.51 -13.46 32.1 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -138.49 22.89 2.73 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -58.06 -70.51 0.14 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.31 23.21 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.111 2.164 . . . . 0.0 112.951 -174.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -57.72 -38.54 75.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.789 0.836 . . . . 0.0 112.665 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.75 -35.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 116.603 1.401 . . . . 0.0 116.603 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.35 -46.34 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.802 1.301 . . . . 0.0 113.016 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.32 41.11 0.22 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.565 1.946 . . . . 0.0 113.831 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.38 174.84 38.74 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 116.491 1.356 . . . . 0.0 116.491 -169.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.05 115.07 17.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.129 1.371 . . . . 0.0 110.611 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -80.23 140.82 36.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.943 0.897 . . . . 0.0 111.712 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.97 152.2 47.49 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.633 1.973 . . . . 0.0 109.769 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -143.23 135.9 27.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.401 1.08 . . . . 0.0 112.401 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -118.1 101.57 8.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.006 2.122 . . . . 0.0 110.399 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.1 -33.45 76.05 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.03 13.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.98 1.312 . . . . 0.0 114.233 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -128.82 12.74 6.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 42.16 44.89 3.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.256 1.822 . . . . 0.0 114.441 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -130.95 139.21 50.01 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.92 0.867 . . . . 0.0 112.724 -172.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.91 145.77 30.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.868 2.867 . . . . 0.0 109.571 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 m -129.64 142.75 50.67 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.987 0.915 . . . . 0.0 109.824 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.11 131.02 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.474 1.509 . . . . 0.0 109.977 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.76 139.66 45.32 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.703 1.201 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 124.891 1.276 . . . . 0.0 111.852 177.22 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.05 132.84 43.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.785 0.834 . . . . 0.0 111.341 172.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.55 155.7 38.59 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.867 1.667 . . . . 0.0 111.345 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -134.72 150.8 50.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.573 1.149 . . . . 0.0 112.017 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -128.43 126.58 40.86 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.2 2.2 . . . . 0.0 109.813 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -107.84 122.18 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.565 1.546 . . . . 0.0 108.6 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.8 119.68 39.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.471 1.908 . . . . 0.0 109.876 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -118.43 133.02 56.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.086 0.955 . . . . 0.0 109.455 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.43 177.97 46.71 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -98.93 -26.16 14.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.382 1.873 . . . . 0.0 111.301 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -75.62 -43.42 48.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.925 1.29 . . . . 0.0 111.954 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -151.87 152.08 32.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -130.83 148.08 52.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.887 1.275 . . . . 0.0 109.503 169.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.8 -173.17 44.54 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 116.765 1.466 . . . . 0.0 116.765 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -146.35 141.21 27.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.301 1.84 . . . . 0.0 111.721 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -137.73 160.63 38.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 112.784 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -143.94 141.24 30.12 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.253 1.421 . . . . 0.0 111.427 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -142.71 166.32 24.99 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.094 2.157 . . . . 0.0 111.451 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.54 113.19 16.45 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.237 1.415 . . . . 0.0 110.429 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.69 163.44 24.28 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 111.621 -169.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.23 -39.28 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.349 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -154.98 167.99 28.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 109.748 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.04 15.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.877 2.071 . . . . 0.0 113.092 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.3 -33.23 55.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.785 1.234 . . . . 0.0 112.564 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -76.39 -40.2 51.6 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.654 -1.279 . . . . 0.0 111.708 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.57 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.692 -1.255 . . . . 0.0 112.231 169.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.46 -40.47 96.72 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.317 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.26 -47.83 80.76 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.727 0.694 . . . . 0.0 112.524 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.7 -52.12 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 120.517 -1.365 . . . . 0.0 111.786 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.23 -39.45 82.79 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.51 -20.44 59.98 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -71.82 -43.98 64.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.718 1.145 . . . . 0.0 111.822 170.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.09 -48.64 67.59 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.315 -0.866 . . . . 0.0 112.159 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -88.52 33.07 0.76 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.886 1.674 . . . . 0.0 114.006 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.68 69.15 0.16 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.569 2.748 . . . . 0.0 114.513 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 50.72 44.17 27.8 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.103 1.761 . . . . 0.0 113.855 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -61.99 -37.26 84.14 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.929 0.871 . . . . 0.0 110.974 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.83 -27.4 0.13 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.964 1.546 . . . . 0.0 116.964 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.51 -48.82 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 118.434 1.117 . . . . 0.0 112.849 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 33.49 44.51 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.279 2.231 . . . . 0.0 113.834 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.29 175.75 48.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -75.66 120.81 21.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.951 1.3 . . . . 0.0 109.681 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -88.35 142.49 27.69 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.651 0.781 . . . . 0.0 111.074 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -138.81 153.84 48.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.991 2.116 . . . . 0.0 109.486 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -146.84 137.69 23.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.42 1.464 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.13 112.25 19.92 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.954 2.102 . . . . 0.0 109.53 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.1 -34.57 64.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.501 0.72 . . . . 0.0 112.68 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.43 -10.3 4.71 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.708 1.603 . . . . 0.0 115.078 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -129.46 11.55 5.83 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.74 1.616 . . . . 0.0 114.201 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp 37.57 41.46 0.29 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.514 1.926 . . . . 0.0 114.736 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.26 140.28 52.65 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.311 -0.868 . . . . 0.0 112.135 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.74 145.66 40.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.676 2.39 . . . . 0.0 109.751 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.1 m -132.15 130.54 41.26 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.87 0.868 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.43 131.27 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.262 1.425 . . . . 0.0 109.702 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 95.2 m -134.73 132.53 38.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.035 0.934 . . . . 0.0 111.857 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.487 1.4 0 C-N-CA 124.809 1.243 . . . . 0.0 112.548 173.67 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.04 133.96 44.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.998 0.919 . . . . 0.0 111.368 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -125.02 158.28 34.11 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.918 1.687 . . . . 0.0 111.606 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.44 152.76 51.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.549 1.14 . . . . 0.0 113.093 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -131.47 111.94 12.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.817 2.447 . . . . 0.0 110.529 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -89.63 128.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 109.08 171.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.6 tp -113.73 119.77 38.53 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.467 1.507 . . . . 0.0 112.191 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -115.62 134.64 54.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.358 172.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.77 176.41 46.31 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -99.4 -41.12 7.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.973 1.709 . . . . 0.0 111.282 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 m -78.82 -35.42 44.13 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 112.36 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -151.81 149.97 29.61 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.044 1.337 . . . . 0.0 111.716 -176.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -134.05 160.26 38.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 110.034 172.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 -174.82 46.3 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -146.72 134.79 21.54 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.514 1.926 . . . . 0.0 110.701 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 p -137.81 159.14 42.81 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -141.65 142.8 33.39 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.939 1.296 . . . . 0.0 110.8 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -144.64 164.91 29.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.898 1.679 . . . . 0.0 110.023 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.91 124.04 43.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.059 1.343 . . . . 0.0 110.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.34 166.51 23.3 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.866 1.666 . . . . 0.0 111.645 -173.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.07 -40.04 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.436 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.82 168.27 24.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.37 1.468 . . . . 0.0 110.524 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -27.01 42.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.655 1.582 . . . . 0.0 112.822 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.3 62.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.018 1.327 . . . . 0.0 111.867 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -74.22 -42.49 59.67 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.726 -1.234 . . . . 0.0 111.944 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.45 84.1 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.655 -1.278 . . . . 0.0 113.151 171.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -63.61 -39.78 95.23 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.668 0.787 . . . . 0.0 111.138 169.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.53 -46.1 84.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.6 0.636 . . . . 0.0 112.46 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.79 -51.78 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.482 -1.386 . . . . 0.0 111.474 173.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.24 -40.18 93.08 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.18 -22.78 63.88 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -73.5 -42.08 62.28 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.359 1.436 . . . . 0.0 111.902 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -74.48 -21.2 59.69 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -128.59 33.08 4.72 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.69 -61.97 1.69 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -162.63 14.86 0.08 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.193 1.797 . . . . 0.0 114.704 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.59 -31.53 72.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.488 0.715 . . . . 0.0 112.524 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.44 -27.99 0.04 OUTLIER Glycine 0 CA--C 1.532 1.125 0 N-CA-C 116.787 1.475 . . . . 0.0 116.787 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.97 -62.16 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.461 1.131 . . . . 0.0 112.615 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 36.84 43.01 0.25 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.549 1.939 . . . . 0.0 114.525 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.8 -173.12 23.69 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.437 1.494 . . . . 0.0 115.836 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -86.38 123.13 31.27 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.897 1.679 . . . . 0.0 112.312 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -93.38 144.65 25.13 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.646 1.179 . . . . 0.0 113.626 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.9 152.89 48.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.431 2.292 . . . . 0.0 109.922 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -143.0 137.43 29.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.463 1.105 . . . . 0.0 112.838 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.08 104.31 10.73 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.871 2.069 . . . . 0.0 110.777 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.14 -37.58 80.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.198 1.399 . . . . 0.0 113.569 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -19.48 15.73 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.039 1.336 . . . . 0.0 114.585 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.96 12.77 6.23 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.787 2.035 . . . . 0.0 113.076 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 40.91 45.02 2.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.171 1.789 . . . . 0.0 114.41 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -131.06 138.05 49.42 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.758 0.789 . . . . 0.0 113.116 -172.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.39 145.75 29.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.655 2.782 . . . . 0.0 109.418 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -134.82 126.32 28.62 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.043 0.937 . . . . 0.0 111.081 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.82 133.28 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 111.76 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 m -134.98 111.9 10.18 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.488 1.43 0 C-N-CA 125.225 1.41 . . . . 0.0 113.325 175.349 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.01 131.57 42.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.773 0.829 . . . . 0.0 111.619 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.71 158.94 32.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.869 1.668 . . . . 0.0 112.128 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -134.36 155.24 50.61 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 112.527 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -133.25 125.43 29.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.13 2.172 . . . . 0.0 110.151 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -106.61 124.76 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.985 1.714 . . . . 0.0 108.467 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.3 tp -113.6 119.63 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 110.599 -171.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.95 115.38 23.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.885 1.274 . . . . 0.0 110.433 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.51 177.64 34.22 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.567 1.079 . . . . 0.0 114.969 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -101.32 -32.3 10.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.395 1.478 . . . . 0.0 112.243 -173.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.0 m -79.76 -41.69 26.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.042 0.937 . . . . 0.0 111.532 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -150.69 146.66 26.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.747 1.219 . . . . 0.0 112.068 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.99 155.7 48.68 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.121 1.768 . . . . 0.0 110.745 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.66 -171.85 44.29 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -145.21 139.7 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.669 1.988 . . . . 0.0 111.258 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -139.97 162.42 35.24 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.226 1.01 . . . . 0.0 113.073 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -143.95 140.89 29.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.092 1.357 . . . . 0.0 111.093 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.414 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 7.4 t -142.56 166.28 25.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.712 2.005 . . . . 0.0 111.358 -174.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -125.82 117.31 23.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.857 1.263 . . . . 0.0 110.838 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.43 165.15 23.22 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 125.581 1.553 . . . . 0.0 111.799 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.68 -38.9 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.183 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -155.61 168.69 26.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.559 1.543 . . . . 0.0 109.426 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -29.7 32.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 125.951 1.7 . . . . 0.0 112.771 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.17 64.87 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.093 -1.005 . . . . 0.0 112.171 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.1 m -75.15 -40.79 59.33 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.749 -1.219 . . . . 0.0 111.637 172.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.532 -1.355 . . . . 0.0 113.489 171.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.442 170.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.98 -49.47 74.57 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.243 0.474 . . . . 0.0 112.126 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.22 -52.77 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.228 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.7 m-85 -59.98 -38.01 81.32 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -68.31 -21.13 64.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.42 -47.67 54.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.593 1.542 . . . . 0.0 111.192 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -68.48 -28.9 67.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.101 1.36 . . . . 0.0 114.088 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -124.21 31.85 5.68 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.35 -61.04 2.61 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -163.31 15.73 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.909 1.684 . . . . 0.0 114.94 -172.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -64.44 -29.26 70.31 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.09 -24.1 0.05 OUTLIER Glycine 0 N--CA 1.472 1.052 0 N-CA-C 117.2 1.64 . . . . 0.0 117.2 171.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.77 -57.57 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.307 1.054 . . . . 0.0 112.433 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 35.74 41.14 0.1 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.171 2.189 . . . . 0.0 115.007 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.92 179.02 28.67 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.044 1.307 . . . . 0.0 115.014 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.6 136.53 42.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.942 1.297 . . . . 0.0 110.644 170.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -104.31 143.3 33.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.969 1.308 . . . . 0.0 112.056 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.97 155.65 47.86 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.648 1.979 . . . . 0.0 110.581 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -148.92 144.57 26.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.437 1.471 . . . . 0.0 112.721 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.93 114.83 23.79 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.778 2.031 . . . . 0.0 111.402 173.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.74 -11.69 58.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.386 -1.446 . . . . 0.0 114.661 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.49 -20.95 53.53 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.318 2.3 t -129.6 8.27 5.37 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 52.52 39.53 28.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.043 1.737 . . . . 0.0 113.909 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.63 139.71 52.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.706 1.202 . . . . 0.0 110.534 -172.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -108.36 145.52 34.38 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.237 2.215 . . . . 0.0 108.968 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 48.5 m -130.7 126.61 36.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.64 0.776 . . . . 0.0 110.03 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.43 127.98 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.605 1.162 . . . . 0.0 109.744 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -134.83 130.68 36.42 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.689 0.795 . . . . 0.0 113.063 -171.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 125.036 1.335 . . . . 0.0 112.04 169.866 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.13 133.93 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.176 0.99 . . . . 0.0 111.151 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.8 159.1 31.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.074 1.75 . . . . 0.0 111.462 170.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.22 152.55 51.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.678 1.191 . . . . 0.0 112.854 -174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.84 117.87 19.1 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.294 2.238 . . . . 0.0 110.533 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.1 122.47 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.054 1.341 . . . . 0.0 109.319 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 tp -103.29 119.45 38.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.334 1.454 . . . . 0.0 110.979 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.3 145.47 45.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 110.4 169.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.82 -166.68 39.37 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.988 0.804 . . . . 0.0 114.438 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -121.19 -24.74 5.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.996 2.118 . . . . 0.0 112.456 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 m -80.25 -38.0 31.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.408 1.083 . . . . 0.0 111.501 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -151.76 151.01 30.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.541 1.536 . . . . 0.0 111.63 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.41 156.35 48.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.864 1.666 . . . . 0.0 109.715 169.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.1 -168.24 38.47 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 116.638 1.415 . . . . 0.0 116.638 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -146.69 139.16 25.0 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.865 1.666 . . . . 0.0 111.731 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -134.69 161.4 35.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.203 1.001 . . . . 0.0 113.066 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.4 141.34 27.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.184 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.57 166.07 25.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.911 1.685 . . . . 0.0 110.691 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -121.36 123.75 42.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.002 1.721 . . . . 0.0 109.95 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.86 24.74 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.446 1.498 . . . . 0.0 111.137 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.45 -45.23 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.45 170.32 19.89 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.531 1.132 . . . . 0.0 113.152 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.33 8.49 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.709 2.003 . . . . 0.0 113.425 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -41.89 45.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.79 1.636 . . . . 0.0 111.511 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.3 m -71.45 -44.0 65.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.625 -1.297 . . . . 0.0 111.899 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.57 83.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.849 -1.157 . . . . 0.0 113.651 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.03 -32.17 64.92 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 118.728 -0.653 . . . . 0.0 112.545 170.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.39 -46.52 88.25 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.248 0.931 . . . . 0.0 110.926 172.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.54 -52.26 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.264 -0.897 . . . . 0.0 111.181 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.52 -36.96 77.12 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.84 -20.44 65.15 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.98 -43.17 68.61 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 119.825 -1.797 . . . . 0.0 113.287 172.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.03 -21.22 29.52 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.787 1.235 . . . . 0.0 113.912 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 113.67 14.18 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.599 1.56 . . . . 0.0 112.49 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.19 -155.84 0.08 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.257 2.223 . . . . 0.0 109.773 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.71 -9.09 0.19 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.411 2.285 . . . . 0.0 116.805 173.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -56.42 -35.92 68.36 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.228 0.611 . . . . 0.0 112.287 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.9 -6.13 0.03 OUTLIER Glycine 0 N--CA 1.473 1.129 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.57 61.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 123.33 1.538 . . . . 0.0 113.961 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.42 46.42 0.43 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.246 1.818 . . . . 0.0 109.196 169.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.21 -161.75 20.72 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 127.528 2.489 . . . . 0.0 115.832 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.95 148.74 45.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.198 1.399 . . . . 0.0 112.597 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -121.07 138.26 54.27 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.687 1.195 . . . . 0.0 113.328 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -138.85 151.37 46.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.728 1.611 . . . . 0.0 109.965 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -143.46 136.48 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.853 1.261 . . . . 0.0 112.08 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.0 103.9 10.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.011 2.124 . . . . 0.0 110.3 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.34 -31.34 71.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.29 38.4 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 t -128.94 12.68 6.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.828 2.051 . . . . 0.0 113.503 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt 41.42 43.8 2.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.047 1.739 . . . . 0.0 114.57 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -127.88 138.05 52.54 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.824 0.821 . . . . 0.0 112.775 -171.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.21 145.94 33.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.05 2.94 . . . . 0.0 109.49 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -125.63 143.17 51.14 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.756 0.822 . . . . 0.0 110.825 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.26 132.04 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.5 1.92 . . . . 0.0 110.29 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -134.72 139.1 44.94 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.712 1.205 . . . . 0.0 111.7 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.697 172.55 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.465 ' SD ' ' HE3' ' B' ' 50' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.74 133.53 43.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.491 0.716 . . . . 0.0 111.441 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -124.73 157.01 36.72 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.906 1.682 . . . . 0.0 111.759 171.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.36 151.62 51.78 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.831 1.252 . . . . 0.0 112.314 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.02 132.64 47.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.008 2.123 . . . . 0.0 109.855 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.89 125.7 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.664 1.586 . . . . 0.0 108.7 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.82 119.7 40.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.131 1.772 . . . . 0.0 109.899 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -119.87 131.12 55.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.468 1.107 . . . . 0.0 109.13 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.33 -175.08 44.28 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -171.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -110.93 -28.44 8.35 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 112.182 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.1 m -87.9 -34.86 18.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.238 1.015 . . . . 0.0 112.168 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.61 148.19 27.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.715 1.206 . . . . 0.0 112.737 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -134.92 154.37 51.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.915 1.286 . . . . 0.0 110.313 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.25 -169.94 40.65 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -145.28 142.6 29.61 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.065 1.746 . . . . 0.0 111.746 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.6 p -137.62 164.1 29.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.497 1.119 . . . . 0.0 112.903 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 143.21 28.82 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.278 1.431 . . . . 0.0 111.406 -173.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.06 166.31 26.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.445 1.898 . . . . 0.0 111.141 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -123.88 122.63 38.49 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.416 1.087 . . . . 0.0 111.166 170.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.87 165.4 23.94 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.372 1.869 . . . . 0.0 111.457 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.5 -40.04 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.342 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -153.97 169.46 23.42 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.663 1.585 . . . . 0.0 110.492 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.6 -33.07 31.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 126.76 2.024 . . . . 0.0 112.781 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.87 -31.87 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.217 1.007 . . . . 0.0 112.549 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -77.72 -41.27 38.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.911 -1.118 . . . . 0.0 111.46 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.73 92.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.538 -1.351 . . . . 0.0 113.267 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -61.89 -41.82 98.34 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.584 0.753 . . . . 0.0 111.005 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.8 -47.46 83.37 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.68 -50.94 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 120.357 1.435 . . . . 0.0 111.589 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.23 -38.5 83.61 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.19 -20.33 60.91 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 174.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.97 -39.85 72.3 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.409 1.459 . . . . 0.0 112.563 171.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.11 -45.13 58.72 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.247 -0.908 . . . . 0.0 112.773 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.42 29.56 5.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.01 -57.83 11.16 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -167.03 26.43 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.081 2.153 . . . . 0.0 113.31 -173.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -57.75 -38.16 74.88 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.309 0.644 . . . . 0.0 112.717 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.94 -28.08 0.12 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.44 1.495 . . . . 0.0 115.817 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.73 -48.73 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.114 1.457 . . . . 0.0 112.796 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.22 40.11 0.17 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.253 2.221 . . . . 0.0 114.865 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.52 178.25 41.18 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.963 1.268 . . . . 0.0 114.8 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.86 148.64 42.17 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.117 1.367 . . . . 0.0 111.611 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -118.21 139.36 51.4 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.622 1.569 . . . . 0.0 112.751 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -138.87 153.91 48.35 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.847 2.059 . . . . 0.0 109.858 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -144.59 142.54 30.24 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.104 1.362 . . . . 0.0 112.567 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -118.12 121.5 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.284 2.234 . . . . 0.0 111.316 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.6 -28.84 30.58 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.312 -0.868 . . . . 0.0 112.831 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.01 -17.2 64.53 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 36.8 p -128.97 1.94 5.3 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.687 -1.597 . . . . 0.0 114.458 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.465 ' HE3' ' SD ' ' B' ' 1' ' ' MET . 52.4 mmtt 50.06 36.1 11.35 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.492 1.517 . . . . 0.0 112.327 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.1 m -123.01 138.32 54.72 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.826 -169.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -113.24 145.53 40.86 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.549 2.339 . . . . 0.0 109.166 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -130.03 137.03 50.03 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.815 0.846 . . . . 0.0 109.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.9 126.23 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.888 1.675 . . . . 0.0 108.983 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 126.4 28.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 124.346 1.059 . . . . 0.0 111.966 169.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.74 135.13 35.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.032 0.933 . . . . 0.0 111.964 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 158.35 33.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.984 2.113 . . . . 0.0 111.646 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -131.14 155.29 47.26 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.524 1.13 . . . . 0.0 112.419 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.83 133.1 42.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.922 2.489 . . . . 0.0 110.387 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -115.24 126.28 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.253 1.421 . . . . 0.0 109.692 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -109.65 116.33 31.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.16 1.384 . . . . 0.0 111.594 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.06 112.46 19.16 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.479 1.912 . . . . 0.0 110.916 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 168.09 38.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.086 0.851 . . . . 0.0 114.806 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.48 -35.72 58.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.132 1.373 . . . . 0.0 113.072 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -83.15 -33.68 26.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.83 2.052 . . . . 0.0 114.123 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -151.96 147.72 26.89 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.037 1.335 . . . . 0.0 111.42 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -134.48 151.83 51.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.619 1.168 . . . . 0.0 109.329 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.17 -174.03 44.23 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 116.696 1.438 . . . . 0.0 116.696 -177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.71 131.9 19.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.518 1.927 . . . . 0.0 111.766 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -135.87 158.7 43.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.24 139.03 25.52 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.682 1.193 . . . . 0.0 111.265 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 t -143.27 159.93 41.43 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.354 1.861 . . . . 0.0 111.018 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -117.27 120.36 38.0 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.692 1.597 . . . . 0.0 110.298 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.32 167.15 21.86 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.494 1.518 . . . . 0.0 111.694 -172.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.4 -37.28 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.858 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -154.73 172.47 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.428 1.891 . . . . 0.0 111.699 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.69 -32.03 65.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.645 1.178 . . . . 0.0 113.263 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.68 64.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.493 1.117 . . . . 0.0 111.418 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.2 m -68.02 -45.14 74.85 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.016 -1.053 . . . . 0.0 112.063 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.62 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.864 -1.147 . . . . 0.0 113.188 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.21 -40.92 95.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.871 0.868 . . . . 0.0 110.746 170.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.58 -43.93 88.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.264 0.938 . . . . 0.0 112.959 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.61 -49.75 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.357 -1.464 . . . . 0.0 111.622 172.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.17 -44.09 95.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -64.95 -29.5 70.44 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 112.216 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.51 -33.98 73.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.095 1.316 . . . . 0.0 113.695 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -80.33 -20.98 42.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.253 46.9 m-85 -121.21 30.51 6.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.589 1.556 . . . . 0.0 115.08 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -63.12 49.15 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.771 3.228 . . . . 0.0 116.425 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 60.53 3.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.309 1.844 . . . . 0.0 114.222 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -65.33 -38.3 89.71 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.488 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.61 42.04 0.04 OUTLIER Glycine 0 N--CA 1.473 1.129 0 C-N-CA 125.361 1.458 . . . . 0.0 116.097 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.37 -52.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.804 1.302 . . . . 0.0 113.342 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 31.76 52.93 0.23 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.58 2.352 . . . . 0.0 115.395 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.06 168.76 36.73 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-O 121.791 0.662 . . . . 0.0 114.589 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.73 115.47 4.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.831 1.653 . . . . 0.0 110.814 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -80.03 137.01 36.71 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.78 0.8 . . . . 0.0 110.403 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 m -138.99 152.36 47.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.493 1.917 . . . . 0.0 109.571 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -143.9 140.24 29.63 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -118.01 120.93 39.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.452 2.701 . . . . 0.0 112.336 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.93 -31.45 31.3 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.149 1.78 . . . . 0.0 113.614 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.09 64.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.823 0.849 . . . . 0.0 112.541 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -128.61 -6.3 5.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.465 1.506 . . . . 0.0 113.695 -171.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 59.77 45.25 12.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.119 1.368 . . . . 0.0 111.98 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -122.26 136.59 54.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.987 -172.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -107.71 145.71 33.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.518 2.327 . . . . 0.0 110.105 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -129.56 146.24 51.39 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.949 0.9 . . . . 0.0 110.555 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -133.04 121.93 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.181 1.793 . . . . 0.0 109.069 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -134.94 139.06 44.64 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.846 1.258 . . . . 0.0 113.646 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-N 120.273 1.397 . . . . 0.0 111.589 172.284 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -77.43 132.64 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.056 0.942 . . . . 0.0 111.627 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.52 157.37 35.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.046 1.738 . . . . 0.0 111.616 173.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -135.5 152.24 51.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.748 1.219 . . . . 0.0 112.275 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.71 130.82 45.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.114 2.166 . . . . 0.0 110.757 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.0 mt -109.04 112.99 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.878 1.671 . . . . 0.0 108.617 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -93.84 119.67 33.09 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.377 1.871 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -118.29 141.41 48.55 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.79 0.836 . . . . 0.0 110.397 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.89 -174.55 46.76 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.473 1.035 . . . . 0.0 113.867 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -108.36 -34.51 6.78 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.467 1.507 . . . . 0.0 112.151 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.6 m -71.91 -43.57 65.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.782 0.833 . . . . 0.0 111.545 170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -146.68 145.94 30.19 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.376 1.07 . . . . 0.0 112.696 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -130.85 153.22 49.34 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.997 1.319 . . . . 0.0 110.52 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.46 -172.79 44.23 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -144.56 135.53 25.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.566 1.947 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 p -136.86 163.2 31.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.937 0.895 . . . . 0.0 113.057 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.25 141.68 27.61 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.18 1.392 . . . . 0.0 111.212 -172.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -144.34 166.32 25.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.669 1.988 . . . . 0.0 111.794 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.83 127.11 52.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.317 1.447 . . . . 0.0 109.061 172.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.44 163.46 30.42 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.435 1.494 . . . . 0.0 111.718 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.3 -36.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.835 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -155.27 169.67 23.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.858 1.663 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.25 -35.91 60.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.716 1.206 . . . . 0.0 112.719 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.78 70.9 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.894 -1.129 . . . . 0.0 111.759 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -67.89 -45.49 74.33 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.265 1.026 . . . . 0.0 111.708 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.61 97.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.678 -1.264 . . . . 0.0 113.425 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.66 -42.04 98.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.057 0.943 . . . . 0.0 110.983 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.68 -47.32 85.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 80.2 t -59.07 -51.17 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.622 1.101 . . . . 0.0 111.544 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.47 -38.25 83.63 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.297 -0.877 . . . . 0.0 113.328 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.81 -20.47 61.14 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.77 -42.26 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.578 1.081 . . . . 0.0 111.254 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.94 -42.43 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.115 . . . . 0.0 113.661 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -104.76 26.54 9.01 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.646 1.178 . . . . 0.0 114.136 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.91 -56.31 22.23 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -165.43 35.34 0.06 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.963 1.705 . . . . 0.0 112.62 -170.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.49 -25.26 60.37 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.185 0.993 . . . . 0.0 112.311 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.3 0.28 0.25 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 127.663 2.554 . . . . 0.0 115.219 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.86 35.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.095 2.158 . . . . 0.0 111.516 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.44 51.06 0.05 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.559 2.343 . . . . 0.0 112.209 169.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.4 -160.01 22.18 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.366 2.412 . . . . 0.0 114.183 -169.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.9 118.86 16.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.745 1.218 . . . . 0.0 111.26 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -95.74 142.94 27.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.471 1.108 . . . . 0.0 110.031 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m -138.78 153.47 48.43 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.39 1.876 . . . . 0.0 109.263 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -142.94 138.74 30.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.776 1.23 . . . . 0.0 111.378 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.96 110.91 18.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.228 1.811 . . . . 0.0 109.063 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.5 -34.77 67.88 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.618 0.767 . . . . 0.0 112.091 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -9.81 12.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 12.52 5.93 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.754 1.222 . . . . 0.0 113.308 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 39.21 43.39 0.87 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.469 1.907 . . . . 0.0 115.366 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 91.0 m -131.01 140.04 50.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.403 -0.811 . . . . 0.0 112.934 -171.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.82 145.75 37.63 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.326 2.65 . . . . 0.0 110.455 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 53.6 m -128.65 141.44 51.34 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.7 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.49 136.41 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.768 0.827 . . . . 0.0 111.022 170.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 m -134.91 139.63 45.13 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.7 1.2 . . . . 0.0 110.958 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.486 1.337 0 C-N-CA 124.458 1.103 . . . . 0.0 112.466 172.177 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.47 136.25 44.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -124.93 158.2 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.176 1.79 . . . . 0.0 111.141 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -132.87 154.85 49.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.689 1.196 . . . . 0.0 112.514 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -132.68 129.98 39.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.406 2.682 . . . . 0.0 109.956 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.01 123.57 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.346 1.458 . . . . 0.0 109.605 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.7 tp -105.41 117.32 33.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.871 1.269 . . . . 0.0 111.317 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -120.13 116.18 25.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.29 1.836 . . . . 0.0 110.409 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.31 168.54 40.97 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.083 0.849 . . . . 0.0 114.557 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -79.27 -37.13 38.61 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.9 p -84.44 -29.36 26.17 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.69 145.69 25.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.474 1.51 . . . . 0.0 111.632 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.61 155.05 51.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.315 1.446 . . . . 0.0 109.812 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.07 -165.03 35.72 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -143.8 144.05 31.62 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.593 1.557 . . . . 0.0 112.425 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -138.26 158.46 44.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.438 1.095 . . . . 0.0 113.39 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -143.64 140.22 30.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.097 1.359 . . . . 0.0 110.853 -171.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.4 t -145.51 166.05 26.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.759 1.624 . . . . 0.0 110.551 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -118.99 126.82 52.64 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.28 1.432 . . . . 0.0 110.774 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 168.7 18.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.598 1.559 . . . . 0.0 111.666 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.85 -40.47 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.351 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -152.54 173.01 15.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.412 1.485 . . . . 0.0 112.725 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.7 63.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.959 1.303 . . . . 0.0 113.813 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.78 59.75 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 120.099 1.318 . . . . 0.0 111.36 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m -67.77 -46.0 73.28 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.797 -1.19 . . . . 0.0 112.117 170.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.58 83.3 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.407 -1.433 . . . . 0.0 113.654 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.44 -40.07 95.02 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.217 0.607 . . . . 0.0 111.314 170.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.72 -46.39 82.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.664 -0.647 . . . . 0.0 112.142 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.31 -50.46 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.193 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -59.87 -36.71 77.49 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.14 -25.29 66.1 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 171.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -60.29 -35.87 76.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 119.311 -2.118 . . . . 0.0 112.568 172.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.67 -22.12 20.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.356 1.462 . . . . 0.0 114.46 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -132.92 22.45 4.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.41 -38.61 74.62 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.503 -1.373 . . . . 0.0 113.565 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.83 -68.41 0.08 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.213 1.805 . . . . 0.0 110.707 169.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 44.48 -66.49 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.186 3.794 . . . . 0.0 116.541 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.84 8.57 1.77 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.91 1.243 . . . . 0.0 116.09 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.2 -43.85 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.082 1.441 . . . . 0.0 113.01 -171.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.19 43.03 1.3 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.039 1.735 . . . . 0.0 114.899 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.55 173.92 48.08 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 115.905 1.122 . . . . 0.0 115.905 -170.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 123.3 27.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.38 1.872 . . . . 0.0 111.465 172.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -84.19 144.73 28.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.486 1.115 . . . . 0.0 113.36 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -138.94 153.37 48.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.234 1.813 . . . . 0.0 109.821 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -144.23 136.15 26.17 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.508 1.123 . . . . 0.0 112.911 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.13 102.18 8.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.055 2.142 . . . . 0.0 111.215 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.96 -29.27 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -18.18 12.56 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -128.83 -0.44 5.37 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.104 1.762 . . . . 0.0 114.138 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 52.2 48.86 21.8 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.303 -1.498 . . . . 0.0 113.414 -171.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 m -129.7 139.49 51.34 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.802 0.811 . . . . 0.0 112.998 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -108.82 145.92 34.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.262 3.025 . . . . 0.0 109.845 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -126.11 147.2 49.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.973 0.909 . . . . 0.0 110.22 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -132.97 123.65 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.241 1.817 . . . . 0.0 108.988 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -134.99 139.88 45.23 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.969 1.308 . . . . 0.0 114.087 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.482 1.152 0 CA-C-N 119.646 1.112 . . . . 0.0 110.523 169.842 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -73.09 131.04 41.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.73 0.812 . . . . 0.0 111.631 174.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.53 158.84 31.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.055 1.742 . . . . 0.0 111.882 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.39 154.7 51.22 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.643 1.177 . . . . 0.0 112.547 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.05 132.44 44.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.635 2.374 . . . . 0.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -114.68 125.83 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.648 1.579 . . . . 0.0 108.49 172.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 65.2 tp -111.0 119.73 40.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.878 1.671 . . . . 0.0 110.245 -175.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -119.57 131.93 55.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.16 0.984 . . . . 0.0 109.282 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -179.74 45.12 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -102.19 -31.43 10.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.859 1.264 . . . . 0.0 112.61 -170.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -76.33 -40.04 52.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.68 1.192 . . . . 0.0 112.499 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.51 146.21 25.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 0.0 112.631 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.73 154.21 48.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.532 1.533 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.51 -174.33 43.84 Favored Glycine 0 N--CA 1.472 1.088 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -147.97 133.45 18.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.957 2.103 . . . . 0.0 110.796 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -141.4 163.76 32.06 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.333 1.053 . . . . 0.0 113.14 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -146.4 142.07 27.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 -170.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -142.57 166.23 25.23 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.928 2.091 . . . . 0.0 111.717 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -127.1 112.35 15.08 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.311 1.445 . . . . 0.0 110.75 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.06 166.14 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 125.764 1.626 . . . . 0.0 111.714 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.85 -40.56 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.375 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -156.16 173.39 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.45 1.5 . . . . 0.0 110.26 174.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -28.19 36.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.367 1.867 . . . . 0.0 113.244 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.85 56.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.558 1.143 . . . . 0.0 112.168 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 58.0 m -75.5 -40.51 57.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.909 -1.12 . . . . 0.0 111.341 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.02 84.96 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.736 -1.228 . . . . 0.0 113.242 170.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -39.76 95.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.636 0.774 . . . . 0.0 111.528 170.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.02 -45.98 86.49 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.695 -0.628 . . . . 0.0 112.637 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.51 -53.97 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 120.803 -1.186 . . . . 0.0 111.024 173.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -58.49 -37.75 76.19 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -67.86 -27.74 66.94 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.204 -0.935 . . . . 0.0 113.189 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -36.41 83.58 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 119.987 -1.696 . . . . 0.0 112.409 172.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -89.78 -17.54 28.01 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.47 10.89 3.22 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 118.443 2.757 . . . . 0.0 118.443 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -70.96 -54.89 9.68 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -153.12 10.49 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -63.13 -32.46 73.85 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.6 -0.688 . . . . 0.0 111.969 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.106 1.602 . . . . 0.0 117.106 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.24 -58.19 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.157 1.479 . . . . 0.0 112.575 -174.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 36.15 41.93 0.15 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.597 1.959 . . . . 0.0 114.679 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 -176.87 28.66 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.089 1.328 . . . . 0.0 114.725 -169.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.39 122.04 21.43 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.437 1.095 . . . . 0.0 110.191 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -94.86 139.58 31.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.358 1.063 . . . . 0.0 111.027 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.1 m -138.84 154.32 48.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.72 2.008 . . . . 0.0 109.391 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -142.85 137.97 29.97 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.766 -1.208 . . . . 0.0 111.734 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.07 112.88 20.8 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.713 2.005 . . . . 0.0 109.47 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.25 -32.98 59.17 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.582 0.753 . . . . 0.0 112.453 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.26 -10.01 9.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -129.47 12.29 5.91 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 114.407 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt 39.76 40.39 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.964 1.706 . . . . 0.0 115.006 -172.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.9 m -126.24 135.53 51.68 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.532 -0.73 . . . . 0.0 112.199 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -102.34 145.55 29.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.954 2.102 . . . . 0.0 109.281 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -127.33 139.45 52.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.134 0.973 . . . . 0.0 109.756 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.06 132.83 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.502 1.121 . . . . 0.0 109.676 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.68 133.13 39.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.908 0.883 . . . . 0.0 112.2 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 127.939 2.496 . . . . 0.0 111.307 -176.65 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -73.08 132.72 43.67 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.854 0.862 . . . . 0.0 111.161 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.95 158.68 33.01 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.134 1.774 . . . . 0.0 111.697 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -132.29 155.26 48.66 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.016 1.326 . . . . 0.0 113.025 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.05 129.29 35.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.883 2.473 . . . . 0.0 110.938 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.22 116.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.568 1.547 . . . . 0.0 109.619 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.1 tp -98.12 118.04 33.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.098 1.359 . . . . 0.0 111.305 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.19 135.27 55.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.724 1.61 . . . . 0.0 109.97 169.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.71 177.52 48.47 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.11 -10.45 47.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.72 1.608 . . . . 0.0 113.26 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.9 m -129.68 -25.91 2.54 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.543 1.537 . . . . 0.0 113.004 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -151.75 141.6 21.97 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.892 1.277 . . . . 0.0 110.704 173.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.81 148.91 50.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.065 1.346 . . . . 0.0 110.167 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.52 -170.41 43.03 Favored Glycine 0 N--CA 1.475 1.297 0 N-CA-C 117.207 1.643 . . . . 0.0 117.207 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -144.1 126.73 16.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.358 1.863 . . . . 0.0 111.955 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -134.41 160.93 36.46 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -146.31 141.24 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.002 1.321 . . . . 0.0 111.253 -170.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -141.96 164.44 30.16 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.238 1.815 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -120.19 117.93 29.18 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.101 1.76 . . . . 0.0 109.681 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.38 160.35 39.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.511 1.525 . . . . 0.0 111.749 -169.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -152.71 171.42 18.24 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.06 1.744 . . . . 0.0 111.805 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -31.09 62.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.656 1.182 . . . . 0.0 113.235 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.94 -36.9 62.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.666 1.186 . . . . 0.0 111.456 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 m -67.11 -45.38 77.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 120.736 -1.228 . . . . 0.0 111.977 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.31 91.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.895 -1.128 . . . . 0.0 113.067 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.4 -40.08 93.06 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.127 0.971 . . . . 0.0 111.062 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.08 -44.58 79.7 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.87 -47.64 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 120.322 -1.486 . . . . 0.0 111.56 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.47 -41.45 94.19 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.431 -0.793 . . . . 0.0 111.763 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.79 -35.47 78.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 119.598 -1.939 . . . . 0.0 112.892 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.23 -21.56 33.36 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.52 19.61 2.91 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.58 -34.26 53.67 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 119.819 -1.801 . . . . 0.0 114.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -161.53 5.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -64.38 -31.63 72.91 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 121.129 -0.982 . . . . 0.0 111.991 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -39.34 0.04 OUTLIER Glycine 0 N--CA 1.473 1.134 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.36 -47.59 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.166 0.983 . . . . 0.0 112.993 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 37.45 43.49 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.229 1.812 . . . . 0.0 113.749 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.57 176.98 41.89 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.802 1.192 . . . . 0.0 115.926 -169.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.12 117.74 19.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.953 1.701 . . . . 0.0 110.907 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -80.26 143.64 33.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.365 1.066 . . . . 0.0 112.236 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -139.01 153.97 48.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.385 1.874 . . . . 0.0 109.817 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -143.93 137.86 28.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.504 1.122 . . . . 0.0 112.799 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.96 104.29 10.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.198 2.199 . . . . 0.0 110.477 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.16 -26.75 65.02 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 113.482 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -27.55 39.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.274 1.429 . . . . 0.0 113.445 172.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -128.76 9.25 5.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 112.709 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt 38.8 43.07 0.69 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.781 2.032 . . . . 0.0 114.07 -170.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -127.43 134.71 49.85 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.098 0.952 . . . . 0.0 112.466 -171.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -103.65 145.89 29.39 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.919 2.888 . . . . 0.0 110.069 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -126.28 145.5 50.39 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.696 0.798 . . . . 0.0 109.883 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.76 125.67 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.223 1.409 . . . . 0.0 109.292 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -134.96 139.85 45.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.022 1.329 . . . . 0.0 113.715 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 124.348 1.059 . . . . 0.0 111.03 169.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HE2' ' B' ' 50' ' ' LYS . 51.6 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -76.96 129.44 36.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.504 0.722 . . . . 0.0 111.531 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.51 159.34 30.79 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.881 1.672 . . . . 0.0 111.925 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -135.52 153.54 51.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.89 1.276 . . . . 0.0 112.642 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -132.54 122.1 24.3 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.027 2.131 . . . . 0.0 111.129 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -101.28 115.7 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.273 1.429 . . . . 0.0 108.853 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.4 tp -99.65 119.17 37.66 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.774 1.63 . . . . 0.0 109.578 -175.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.19 111.14 17.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.683 0.793 . . . . 0.0 110.776 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.16 172.88 33.45 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.044 0.83 . . . . 0.0 114.97 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.08 -38.57 22.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.536 1.134 . . . . 0.0 112.876 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -79.68 -35.59 38.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.789 0.835 . . . . 0.0 112.691 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.95 146.17 28.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.126 0.971 . . . . 0.0 113.424 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mttp -130.98 151.0 51.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.894 1.277 . . . . 0.0 110.231 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.86 -172.3 43.16 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -141.68 133.57 27.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.945 1.698 . . . . 0.0 111.314 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.3 p -136.83 165.06 26.84 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.032 0.933 . . . . 0.0 112.867 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.04 146.26 30.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.59 1.556 . . . . 0.0 111.044 -171.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -144.54 165.97 26.49 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.838 1.655 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -128.37 109.88 11.84 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.883 1.273 . . . . 0.0 110.174 174.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.88 167.38 19.05 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.475 1.51 . . . . 0.0 111.786 -169.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -69.95 -34.75 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.943 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -154.16 168.2 27.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.69 1.596 . . . . 0.0 110.528 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.16 50.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.044 1.738 . . . . 0.0 112.628 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.43 66.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 112.661 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -71.89 -43.26 65.67 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.31 -0.869 . . . . 0.0 111.349 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.01 97.71 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.983 -1.073 . . . . 0.0 113.017 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.67 -43.1 94.09 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.415 1.086 . . . . 0.0 111.14 172.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.94 -48.38 82.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -57.66 -50.23 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 119.355 0.98 . . . . 0.0 111.604 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.7 -39.99 90.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.14 -0.975 . . . . 0.0 112.985 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -20.34 61.29 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -69.03 -43.21 75.19 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.625 1.102 . . . . 0.0 111.906 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.43 -37.87 42.73 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -111.78 24.97 12.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.63 -49.19 65.64 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -160.53 32.29 0.16 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.13 1.772 . . . . 0.0 112.925 -171.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.47 -26.17 46.02 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 122.07 0.938 . . . . 0.0 112.35 -174.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.13 -38.91 0.18 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.959 2.695 . . . . 0.0 111.709 176.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.02 38.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.66 2.384 . . . . 0.0 115.794 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.86 -5.97 10.72 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.921 1.688 . . . . 0.0 111.978 169.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.74 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.54 1.643 0 C-N-CA 130.407 3.861 . . . . 0.0 117.981 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.5 115.61 24.1 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.92 1.688 . . . . 0.0 111.737 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -88.09 143.09 27.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.398 1.079 . . . . 0.0 110.953 171.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -138.92 156.08 47.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.09 2.156 . . . . 0.0 110.048 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -143.17 141.72 31.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.035 1.334 . . . . 0.0 112.701 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.12 124.21 47.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.208 2.203 . . . . 0.0 111.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.58 -32.2 28.6 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.57 -17.39 63.91 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.823 -1.173 . . . . 0.0 114.067 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.2 1.91 5.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 112.978 -1.919 . . . . 0.0 113.997 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HE2' ' SD ' ' B' ' 1' ' ' MET . 47.6 mmtm 50.12 33.44 7.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.462 1.505 . . . . 0.0 112.385 175.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 75.4 m -121.54 135.27 55.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.383 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.05 145.58 30.29 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.917 2.087 . . . . 0.0 109.387 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 70.3 m -129.93 142.59 50.63 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 0.0 109.349 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.24 135.35 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.276 0.631 . . . . 0.0 111.278 170.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.1 m -134.69 135.88 42.34 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.445 1.098 . . . . 0.0 111.625 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.004 1.322 . . . . 0.0 111.622 169.92 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.517 0.199 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.14 132.38 43.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 0.0 110.573 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -124.93 155.59 39.33 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.583 1.553 . . . . 0.0 111.203 170.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -132.98 155.37 49.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.088 0.955 . . . . 0.0 113.227 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -134.52 130.27 36.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.347 2.259 . . . . 0.0 109.924 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.0 mt -110.73 130.44 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.104 1.761 . . . . 0.0 108.715 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 tp -113.59 119.49 37.66 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.667 1.587 . . . . 0.0 112.181 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.32 133.2 56.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.281 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.25 174.88 43.7 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.722 1.153 . . . . 0.0 115.047 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -88.74 -37.97 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.858 1.263 . . . . 0.0 113.425 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -100.69 -20.04 15.79 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.444 1.498 . . . . 0.0 113.844 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.69 144.97 24.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.334 1.454 . . . . 0.0 112.172 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -140.62 159.05 43.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.618 1.967 . . . . 0.0 109.853 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.04 -169.87 42.91 Favored Glycine 0 N--CA 1.474 1.19 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.22 146.63 30.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.197 1.799 . . . . 0.0 112.156 173.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -141.01 161.09 38.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.374 1.07 . . . . 0.0 113.543 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.88 144.18 33.7 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.366 1.467 . . . . 0.0 110.69 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.444 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.2 t -146.17 159.78 42.85 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.535 1.534 . . . . 0.0 110.067 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.41 120.57 40.76 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.306 1.442 . . . . 0.0 109.906 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 164.21 28.63 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.577 1.551 . . . . 0.0 111.268 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.03 -38.28 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.399 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -153.53 171.47 18.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.182 1.793 . . . . 0.0 112.063 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.81 59.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.693 1.197 . . . . 0.0 113.395 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -36.18 59.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.558 1.143 . . . . 0.0 111.301 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -69.61 -44.43 70.71 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.807 -1.183 . . . . 0.0 111.78 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.16 84.77 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.628 -1.295 . . . . 0.0 113.437 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.34 -39.43 93.06 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.65 0.78 . . . . 0.0 110.732 170.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -68.12 -43.3 78.71 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.972 0.805 . . . . 0.0 113.108 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.08 -1.637 . . . . 0.0 111.368 172.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.4 m-85 -60.0 -42.26 93.87 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.539 -0.726 . . . . 0.0 112.893 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.28 -26.21 67.23 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.437 -0.789 . . . . 0.0 112.737 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.17 -37.4 72.19 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.682 1.583 . . . . 0.0 112.953 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.26 -18.93 54.68 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -133.23 24.37 4.16 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -170.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -64.74 -67.75 0.41 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.19 16.18 0.34 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.58 1.552 . . . . 0.0 114.505 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -58.73 -35.58 72.92 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.203 0.601 . . . . 0.0 112.279 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.27 -30.19 0.03 OUTLIER Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.658 1.423 . . . . 0.0 116.658 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.52 -56.03 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.587 1.194 . . . . 0.0 112.934 -173.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 36.68 47.88 0.59 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.62 -174.98 19.94 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.173 1.368 . . . . 0.0 115.679 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -90.98 118.11 30.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.131 2.173 . . . . 0.0 112.078 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -85.71 143.9 28.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.975 1.31 . . . . 0.0 113.341 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -138.9 154.52 48.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.62 1.968 . . . . 0.0 109.564 174.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -142.62 142.01 32.03 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.964 1.257 . . . . 0.0 112.89 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -117.85 114.06 22.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.749 2.019 . . . . 0.0 112.197 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.19 -11.12 59.5 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.01 53.77 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -128.94 9.2 5.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.668 1.987 . . . . 0.0 114.512 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt 55.47 46.38 23.26 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.904 1.682 . . . . 0.0 113.526 172.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.3 m -133.9 142.75 47.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.077 0.951 . . . . 0.0 112.105 -170.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -108.46 145.84 34.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.575 2.75 . . . . 0.0 109.62 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -135.49 114.87 12.52 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.673 0.789 . . . . 0.0 111.23 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.55 131.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.822 1.249 . . . . 0.0 110.744 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -134.88 139.86 45.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.228 1.411 . . . . 0.0 112.257 -172.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.124 0.97 . . . . 0.0 111.546 171.785 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.68 130.91 40.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.815 0.846 . . . . 0.0 112.044 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.66 158.72 32.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 112.052 170.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -135.48 155.22 50.87 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.708 1.203 . . . . 0.0 112.96 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -133.38 133.71 42.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.315 2.246 . . . . 0.0 110.374 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 42.8 mt -114.45 126.39 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.74 1.616 . . . . 0.0 108.478 171.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 tt -113.56 119.36 37.23 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.711 1.604 . . . . 0.0 108.921 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -120.19 111.12 17.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.628 0.771 . . . . 0.0 109.915 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.99 172.03 21.87 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.377 1.465 . . . . 0.0 114.609 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.56 -26.69 65.54 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 18.5 p -126.01 -19.89 4.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 114.031 -173.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -143.27 142.74 31.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.907 1.683 . . . . 0.0 110.683 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -136.23 151.1 49.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.831 1.252 . . . . 0.0 111.523 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.82 -174.83 46.08 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 115.675 1.03 . . . . 0.0 115.675 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -145.77 138.33 25.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.461 1.905 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -137.96 163.34 31.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.008 0.923 . . . . 0.0 112.741 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -142.06 142.14 32.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.434 1.494 . . . . 0.0 110.439 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 12.3 t -137.13 164.31 28.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.154 1.782 . . . . 0.0 111.321 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.25 109.87 11.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.195 1.398 . . . . 0.0 109.897 171.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.89 168.5 17.75 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.368 1.467 . . . . 0.0 111.389 -170.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.47 -36.41 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.596 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -154.9 169.57 23.71 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.533 1.533 . . . . 0.0 110.325 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.23 -34.31 31.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.856 2.062 . . . . 0.0 112.838 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.29 65.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.614 1.166 . . . . 0.0 112.316 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -73.24 -42.68 62.28 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.901 -1.125 . . . . 0.0 111.701 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.06 97.88 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.814 -1.179 . . . . 0.0 113.051 171.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.38 -41.27 93.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 111.164 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.13 -51.5 67.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.671 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.93 -46.84 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 120.645 1.566 . . . . 0.0 111.275 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.93 -39.15 91.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -71.41 -25.71 62.45 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -71.6 -45.52 61.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.72 1.208 . . . . 0.0 112.019 170.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.72 -45.54 74.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.25 37.01 3.31 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.38 -54.21 49.38 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -166.47 32.37 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.991 1.717 . . . . 0.0 112.9 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -64.69 -33.25 75.5 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.098 -1.001 . . . . 0.0 111.609 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.98 23.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.152 1.834 . . . . 0.0 115.417 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.92 36.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.897 1.679 . . . . 0.0 111.314 -172.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -67.23 39.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.968 2.507 . . . . 0.0 113.71 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.47 -167.94 43.69 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.558 2.028 . . . . 0.0 115.081 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.02 124.68 24.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.84 1.256 . . . . 0.0 111.247 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -90.56 144.56 25.66 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.087 0.955 . . . . 0.0 111.645 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 29.0 m -138.88 153.84 48.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.041 2.136 . . . . 0.0 109.118 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -144.32 136.12 26.0 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.78 1.173 . . . . 0.0 111.794 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.08 107.37 13.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.558 1.943 . . . . 0.0 110.512 173.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.91 -27.03 63.49 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.068 0.947 . . . . 0.0 113.46 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -16.67 11.96 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.457 1.903 . . . . 0.0 114.609 171.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.1 p -129.05 0.96 5.25 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.53 1.932 . . . . 0.0 113.778 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt 41.37 36.14 0.49 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.862 1.665 . . . . 0.0 113.865 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -120.5 133.92 55.34 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.204 0.526 . . . . 0.0 111.573 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -102.31 145.51 29.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.477 2.311 . . . . 0.0 108.886 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 69.5 m -128.26 140.78 51.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.15 0.98 . . . . 0.0 110.092 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.7 t -127.21 130.82 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.924 1.289 . . . . 0.0 109.787 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -134.71 122.49 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.743 0.817 . . . . 0.0 112.461 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 128.526 2.73 . . . . 0.0 109.656 -179.25 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.04 132.63 43.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.19 0.996 . . . . 0.0 111.095 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -124.87 160.17 29.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 111.701 170.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.9 155.31 50.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 112.832 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.25 135.82 43.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.495 2.718 . . . . 0.0 110.472 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -118.26 129.1 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.64 1.576 . . . . 0.0 109.697 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.3 tp -109.27 119.36 39.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.679 1.591 . . . . 0.0 111.346 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -120.01 133.54 55.51 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.697 1.599 . . . . 0.0 110.329 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.22 171.02 39.59 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.632 1.111 . . . . 0.0 114.321 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.4 -36.09 46.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.728 1.211 . . . . 0.0 113.809 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 p -94.71 -25.44 16.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.75 1.22 . . . . 0.0 114.164 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -151.75 149.2 28.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.141 1.376 . . . . 0.0 111.869 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.19 159.06 42.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.59 1.556 . . . . 0.0 108.935 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.26 -174.2 44.29 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 116.999 1.559 . . . . 0.0 116.999 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -146.78 132.22 18.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.707 2.003 . . . . 0.0 111.527 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -135.97 160.21 39.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.92 142.31 29.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.923 1.289 . . . . 0.0 110.765 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 t -146.32 160.95 41.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.703 1.601 . . . . 0.0 110.375 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.77 125.62 54.19 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.318 1.447 . . . . 0.0 109.852 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.25 166.62 23.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.269 1.427 . . . . 0.0 111.542 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -64.14 -44.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.617 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -150.06 168.79 22.86 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.76 1.624 . . . . 0.0 111.673 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.13 -28.92 11.99 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 126.859 2.063 . . . . 0.0 113.108 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.65 43.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.006 1.322 . . . . 0.0 112.084 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -69.95 -42.69 72.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.295 -1.503 . . . . 0.0 111.914 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.88 86.23 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.842 -1.161 . . . . 0.0 113.001 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -62.94 -39.58 95.03 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.297 0.639 . . . . 0.0 110.825 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.17 -45.31 77.37 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.13 0.877 . . . . 0.0 113.147 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.2 -50.03 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 120.355 -1.465 . . . . 0.0 111.114 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.2 m-85 -59.4 -41.68 90.0 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 177.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -68.97 -20.55 64.18 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -72.95 -47.46 45.28 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.563 -1.336 . . . . 0.0 113.1 170.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -67.4 -34.01 76.37 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 119.252 0.933 . . . . 0.0 112.729 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.25 65.0 m-85 -113.94 32.78 5.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.699 1.6 . . . . 0.0 114.304 -171.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -56.26 -44.18 79.45 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.668 1.187 . . . . 0.0 114.134 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -156.01 -61.13 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.287 1.435 . . . . 0.0 112.175 169.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 49.74 30.31 3.67 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 125.701 1.6 . . . . 0.0 114.093 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.71 21.63 58.44 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.608 1.575 . . . . 0.0 115.201 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -119.38 -36.31 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.018 1.727 . . . . 0.0 111.421 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 33.6 44.63 0.08 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 128.108 2.563 . . . . 0.0 116.756 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.51 45.17 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.2 116.74 7.6 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 0.0 110.771 169.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -80.03 139.51 36.92 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.794 0.807 . . . . 0.0 111.08 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 m -138.9 152.45 47.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.657 1.983 . . . . 0.0 109.344 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -144.6 137.13 26.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -118.08 101.33 8.16 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.096 2.158 . . . . 0.0 110.879 172.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.71 -41.07 76.77 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.248 1.419 . . . . 0.0 113.775 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -19.15 28.48 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.3 1.44 . . . . 0.0 114.849 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.72 12.8 6.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.691 1.996 . . . . 0.0 112.638 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 46.49 40.83 8.72 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.474 1.91 . . . . 0.0 113.62 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 m -125.63 134.76 51.77 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -101.83 145.95 28.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.407 3.083 . . . . 0.0 110.168 173.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.3 m -128.98 146.25 51.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.863 0.865 . . . . 0.0 110.366 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.99 124.67 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 109.752 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -135.02 139.87 45.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.679 1.592 . . . . 0.0 113.355 -176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-N 120.186 1.357 . . . . 0.0 111.496 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -74.54 128.78 36.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.538 0.735 . . . . 0.0 111.13 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.64 158.5 32.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.675 1.59 . . . . 0.0 111.782 172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -135.47 155.36 50.66 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.736 1.215 . . . . 0.0 112.768 -175.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -132.58 111.09 10.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.567 2.347 . . . . 0.0 110.534 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -88.35 128.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 109.406 171.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.7 119.75 40.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.418 1.887 . . . . 0.0 110.663 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.96 134.85 54.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.412 1.085 . . . . 0.0 110.256 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.15 -177.26 40.3 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.203 1.382 . . . . 0.0 114.306 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.3 4.53 26.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.8 1.64 . . . . 0.0 113.715 -171.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.3 m -132.89 -42.84 0.9 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.76 1.624 . . . . 0.0 111.472 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.27 145.44 34.03 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.25 1.42 . . . . 0.0 110.628 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -137.16 156.98 47.68 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 111.33 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.51 -169.69 42.8 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.85 138.23 26.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.969 2.107 . . . . 0.0 111.124 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.5 p -135.34 157.95 45.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.036 0.935 . . . . 0.0 112.318 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 141.41 29.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.895 1.278 . . . . 0.0 111.32 -169.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.99 166.19 25.38 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.302 1.841 . . . . 0.0 111.485 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -129.26 110.13 11.71 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.202 1.401 . . . . 0.0 110.007 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.73 17.01 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.694 1.598 . . . . 0.0 111.246 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.16 -39.27 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.764 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -150.82 169.03 22.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.487 1.515 . . . . 0.0 110.443 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.49 21.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.038 2.135 . . . . 0.0 113.012 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.84 55.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.824 1.249 . . . . 0.0 112.841 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -76.76 -42.43 40.96 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.872 -1.143 . . . . 0.0 111.058 172.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.12 91.1 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.014 -1.054 . . . . 0.0 112.698 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -60.12 -39.64 86.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.038 0.935 . . . . 0.0 111.511 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.68 -43.22 89.93 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.57 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.324 -1.485 . . . . 0.0 111.509 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.33 -41.13 92.93 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.367 -0.833 . . . . 0.0 112.873 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -71.24 -20.53 62.23 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.93 -47.42 52.59 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.1 -1.0 . . . . 0.0 112.672 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -69.98 -39.57 75.88 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.569 1.077 . . . . 0.0 112.794 174.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -103.43 31.28 4.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.724 1.61 . . . . 0.0 113.341 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -54.88 -34.04 62.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.471 1.508 . . . . 0.0 114.873 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -159.6 -71.54 0.08 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.958 1.303 . . . . 0.0 112.619 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 45.51 23.62 0.14 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.196 2.198 . . . . 0.0 115.453 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.47 10.44 17.01 Favored Glycine 0 CA--C 1.546 1.972 0 C-N-CA 126.965 2.221 . . . . 0.0 114.649 -169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -81.09 -51.64 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.04 1.736 . . . . 0.0 109.648 172.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 35.25 42.63 0.11 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.512 2.325 . . . . 0.0 114.645 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.04 53.36 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.338 1.447 . . . . 0.0 116.288 -169.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.3 144.19 40.4 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.718 1.607 . . . . 0.0 111.39 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -109.09 142.02 40.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.323 1.449 . . . . 0.0 112.671 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 156.75 46.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.739 2.016 . . . . 0.0 110.122 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.44 135.78 22.84 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.939 1.245 . . . . 0.0 112.778 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.22 113.95 22.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.563 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.87 -31.82 59.43 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.36 7.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.034 1.334 . . . . 0.0 114.581 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -129.13 12.11 6.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.084 1.753 . . . . 0.0 113.705 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm 37.74 42.31 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.579 1.952 . . . . 0.0 114.524 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -128.76 138.91 52.36 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.544 0.688 . . . . 0.0 112.375 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -101.67 145.71 28.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.615 2.366 . . . . 0.0 109.713 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.8 m -131.18 125.12 32.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.72 0.808 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.46 128.79 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 110.034 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -134.94 139.68 45.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 0.0 112.019 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.305 170.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.03 134.54 44.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 111.187 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.84 159.85 30.11 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.05 1.74 . . . . 0.0 111.438 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -134.88 152.78 52.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.704 1.202 . . . . 0.0 113.085 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -130.81 129.72 42.74 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.382 2.273 . . . . 0.0 110.087 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -110.68 128.15 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.467 1.507 . . . . 0.0 108.609 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.59 119.2 36.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.202 1.401 . . . . 0.0 110.995 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.04 115.19 23.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.879 1.671 . . . . 0.0 110.655 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 177.25 32.53 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.667 1.127 . . . . 0.0 114.618 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.14 -38.5 8.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.273 1.429 . . . . 0.0 111.564 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 m -77.42 -33.57 54.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.367 1.467 . . . . 0.0 112.487 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -151.86 151.77 31.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 111.863 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -136.44 157.09 47.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.233 1.813 . . . . 0.0 109.803 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.39 -173.89 45.87 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.84 136.53 24.28 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.575 1.95 . . . . 0.0 111.482 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -139.0 161.6 36.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.177 0.991 . . . . 0.0 113.66 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 141.52 27.17 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.09 1.356 . . . . 0.0 111.328 -172.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -145.88 166.05 27.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.118 1.767 . . . . 0.0 110.634 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -120.76 126.29 49.76 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.242 1.417 . . . . 0.0 110.867 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.23 167.88 20.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.112 1.765 . . . . 0.0 111.292 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.07 -39.73 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.98 172.39 16.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.3 1.44 . . . . 0.0 112.439 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.22 -31.94 61.87 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.957 1.303 . . . . 0.0 114.069 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -32.41 49.4 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.114 1.325 . . . . 0.0 111.543 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.7 m -68.99 -45.07 71.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.511 -1.368 . . . . 0.0 111.796 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.71 83.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.434 -1.416 . . . . 0.0 113.6 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.52 -42.03 99.25 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.314 0.646 . . . . 0.0 111.06 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.96 -45.77 87.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.643 -0.661 . . . . 0.0 112.215 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.7 -52.82 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 O-C-N 120.947 -1.095 . . . . 0.0 111.314 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.8 m-85 -60.47 -35.94 77.09 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -67.67 -26.25 66.1 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 172.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -40.71 96.07 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.125 1.33 . . . . 0.0 112.654 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -83.67 -34.91 24.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.596 1.158 . . . . 0.0 113.395 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -121.43 53.99 1.14 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -116.77 -42.5 2.96 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -145.15 13.53 1.44 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -56.25 -37.28 69.56 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.243 1.02 . . . . 0.0 111.519 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -24.73 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 127.907 2.67 . . . . 0.0 114.801 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.94 -54.51 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.489 1.144 . . . . 0.0 113.806 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 35.42 42.83 0.12 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 126.573 1.949 . . . . 0.0 114.309 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.86 175.13 35.09 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.88 119.04 23.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.096 1.758 . . . . 0.0 112.307 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -81.21 144.63 31.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.291 1.036 . . . . 0.0 113.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 m -138.89 154.68 48.4 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.709 2.404 . . . . 0.0 109.36 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -144.35 138.31 27.74 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.819 1.191 . . . . 0.0 113.154 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.1 104.77 11.17 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.134 2.174 . . . . 0.0 110.91 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.09 -34.8 78.37 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.538 1.535 . . . . 0.0 114.25 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.74 55.92 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -128.96 12.81 6.23 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.765 2.026 . . . . 0.0 113.595 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 43.12 45.24 4.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.938 1.695 . . . . 0.0 114.647 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 m -127.94 137.26 52.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -107.46 145.77 32.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.099 2.96 . . . . 0.0 109.711 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -135.26 122.53 21.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.017 0.927 . . . . 0.0 111.265 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -115.61 124.61 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.691 1.596 . . . . 0.0 110.634 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.9 m -135.06 115.83 13.91 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -169.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 124.776 1.231 . . . . 0.0 111.344 169.556 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ttp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.71 132.77 43.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.567 0.747 . . . . 0.0 111.858 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.7 159.72 30.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.007 1.723 . . . . 0.0 111.657 170.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.52 155.27 50.76 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.655 1.182 . . . . 0.0 112.688 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -133.32 135.26 44.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.502 2.321 . . . . 0.0 110.03 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -119.43 129.87 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.701 1.6 . . . . 0.0 108.846 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 tp -112.61 119.69 39.01 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.221 1.808 . . . . 0.0 110.562 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.64 131.55 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.668 1.187 . . . . 0.0 109.725 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.57 -173.41 43.91 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 115.335 0.894 . . . . 0.0 115.335 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -111.98 -12.62 13.71 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.869 1.668 . . . . 0.0 113.58 -173.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 45.6 m -113.56 -26.72 8.15 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.631 1.573 . . . . 0.0 112.336 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.44 144.48 24.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 111.374 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -131.57 151.61 51.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.022 1.329 . . . . 0.0 109.63 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.57 -173.48 44.42 Favored Glycine 0 N--CA 1.471 0.985 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -147.57 137.19 22.69 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.805 2.042 . . . . 0.0 110.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.0 p -139.32 165.76 26.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.321 1.048 . . . . 0.0 113.03 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.33 145.5 30.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.998 1.319 . . . . 0.0 111.181 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.436 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.2 t -143.87 166.14 25.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.949 1.7 . . . . 0.0 111.276 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.48 112.84 16.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.326 1.45 . . . . 0.0 109.995 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.7 166.28 21.08 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.311 1.444 . . . . 0.0 111.936 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.9 p -71.26 -38.08 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -155.24 168.62 26.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.352 1.461 . . . . 0.0 109.495 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -28.22 36.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.899 1.679 . . . . 0.0 112.693 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.26 62.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.746 1.218 . . . . 0.0 111.892 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 43.9 m -70.93 -42.77 69.42 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.894 -1.129 . . . . 0.0 111.988 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.81 88.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.832 -1.168 . . . . 0.0 113.561 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.25 -39.17 93.85 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 170.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -66.86 -43.8 82.64 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.68 -52.18 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.288 -1.507 . . . . 0.0 111.27 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.436 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.0 m-85 -61.07 -35.82 77.97 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.53 -20.42 60.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -72.8 -43.25 63.0 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.546 -1.346 . . . . 0.0 112.274 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.85 -40.82 62.99 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.19 -0.943 . . . . 0.0 112.625 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -110.56 33.54 4.47 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.727 1.611 . . . . 0.0 114.204 -171.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -55.62 -42.91 75.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -155.24 -71.24 0.12 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.5 1.52 . . . . 0.0 111.239 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 48.38 28.62 1.71 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 126.306 1.842 . . . . 0.0 114.846 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.32 2.43 7.13 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.843 2.64 . . . . 0.0 115.672 -171.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.3 -53.34 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.866 1.333 . . . . 0.0 109.851 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.99 42.56 0.46 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.141 2.176 . . . . 0.0 114.23 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.75 54.72 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.589 1.09 . . . . 0.0 114.572 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.58 137.58 46.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.786 1.235 . . . . 0.0 110.743 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -101.78 141.59 34.39 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.713 1.205 . . . . 0.0 112.033 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -138.77 152.77 48.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.87 2.068 . . . . 0.0 109.489 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -143.4 137.17 28.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.964 1.257 . . . . 0.0 111.844 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -117.98 111.77 19.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.781 2.032 . . . . 0.0 109.676 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.57 -34.14 62.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.499 0.72 . . . . 0.0 112.818 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.81 -12.05 6.59 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.769 1.628 . . . . 0.0 114.879 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -129.34 12.63 6.02 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.788 1.635 . . . . 0.0 114.218 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 40.07 41.3 0.9 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.536 1.934 . . . . 0.0 114.954 -174.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.4 m -126.02 136.88 53.48 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.714 -0.617 . . . . 0.0 112.414 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -104.25 145.59 30.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.558 2.343 . . . . 0.0 109.195 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.2 m -131.43 134.44 46.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.968 0.907 . . . . 0.0 109.943 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 t -123.44 127.09 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.403 1.481 . . . . 0.0 109.251 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.78 136.35 42.51 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.85 0.86 . . . . 0.0 112.648 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 124.281 1.032 . . . . 0.0 111.899 170.023 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.03 133.12 44.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.213 1.005 . . . . 0.0 111.412 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 159.26 31.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.216 1.806 . . . . 0.0 111.774 170.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -135.25 155.21 51.03 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.506 1.123 . . . . 0.0 113.106 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -133.37 125.26 28.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.892 2.477 . . . . 0.0 110.783 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.73 124.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.205 1.402 . . . . 0.0 109.346 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -113.66 115.94 28.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.302 1.441 . . . . 0.0 110.968 -171.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.2 112.89 19.65 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.13 1.772 . . . . 0.0 111.587 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 169.52 33.57 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.759 1.171 . . . . 0.0 114.438 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -79.32 -36.67 39.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.498 1.119 . . . . 0.0 113.283 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -88.85 -26.86 21.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.12 1.368 . . . . 0.0 113.916 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.86 147.28 26.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.206 1.402 . . . . 0.0 111.784 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -136.19 158.91 43.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.933 1.693 . . . . 0.0 109.994 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.87 -174.63 46.79 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -144.65 129.23 18.08 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.723 2.009 . . . . 0.0 111.481 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 p -134.85 159.3 41.83 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.73 141.13 29.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 111.064 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -142.98 166.05 25.7 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.036 1.735 . . . . 0.0 110.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -121.19 121.63 38.22 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.064 1.746 . . . . 0.0 109.84 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.7 27.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.384 1.474 . . . . 0.0 111.262 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.1 -40.94 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.764 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -150.08 167.61 26.28 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.803 1.241 . . . . 0.0 112.939 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.21 -28.73 28.35 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.163 1.785 . . . . 0.0 112.657 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.95 -41.91 61.32 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.823 1.649 . . . . 0.0 111.662 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -68.54 -46.32 69.81 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.56 -1.338 . . . . 0.0 112.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.22 90.14 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.96 -1.087 . . . . 0.0 113.376 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.7 -31.2 67.98 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.086 -0.959 . . . . 0.0 112.517 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.67 -48.47 79.15 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.189 1.359 . . . . 0.0 110.984 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.66 -51.38 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.346 -0.846 . . . . 0.0 111.264 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.02 -39.47 89.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.41 -20.43 63.8 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.8 -41.26 68.49 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.972 -1.705 . . . . 0.0 112.605 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -81.17 -25.01 37.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -133.6 117.52 17.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.971 1.308 . . . . 0.0 112.238 -175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -161.86 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.852 0.861 . . . . 0.0 112.877 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.86 10.8 2.01 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.597 1.959 . . . . 0.0 114.04 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -57.46 -35.91 70.77 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.23 1.012 . . . . 0.0 111.44 169.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.97 -36.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 117.724 1.85 . . . . 0.0 117.724 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.86 -47.5 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.922 1.361 . . . . 0.0 113.463 -172.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.12 44.21 0.39 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.417 1.887 . . . . 0.0 114.437 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.88 176.35 24.78 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.14 1.352 . . . . 0.0 116.25 -169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -79.28 133.93 36.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.564 1.945 . . . . 0.0 111.768 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -95.28 144.96 25.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.4 1.48 . . . . 0.0 113.465 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 m -138.95 155.85 47.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.902 1.681 . . . . 0.0 110.04 171.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -143.61 139.87 29.87 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.675 1.19 . . . . 0.0 112.493 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -118.07 106.49 12.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.652 1.981 . . . . 0.0 110.739 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.29 -31.62 72.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.99 1.716 . . . . 0.0 113.205 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.72 -27.06 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.263 1.425 . . . . 0.0 113.286 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -128.75 8.86 5.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.679 1.592 . . . . 0.0 112.737 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 39.74 42.12 0.93 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.536 1.934 . . . . 0.0 114.018 -172.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -129.1 134.58 48.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.994 0.902 . . . . 0.0 112.658 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.15 145.81 28.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.323 2.649 . . . . 0.0 109.904 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -125.4 144.59 50.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.099 0.959 . . . . 0.0 110.092 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 122.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 108.903 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 m -134.71 139.67 45.38 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 124.297 1.039 . . . . 0.0 111.373 169.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.6 tpp . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.79 130.5 35.8 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.018 0.927 . . . . 0.0 111.309 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -124.69 161.8 25.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.109 1.764 . . . . 0.0 111.777 172.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.5 155.28 50.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.936 1.294 . . . . 0.0 112.906 -171.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -134.67 125.2 26.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.366 2.266 . . . . 0.0 110.757 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.8 mt -105.87 128.57 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 109.162 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -110.71 119.77 40.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.188 1.795 . . . . 0.0 110.519 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -119.25 131.73 55.83 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.904 0.882 . . . . 0.0 109.118 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.18 -177.06 48.33 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.233 0.92 . . . . 0.0 114.439 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.8 -29.8 9.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.949 1.3 . . . . 0.0 112.767 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.6 p -76.75 -44.28 33.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.561 1.144 . . . . 0.0 111.128 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.45 146.02 30.43 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.496 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.47 151.97 50.37 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.099 1.36 . . . . 0.0 109.747 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.84 43.58 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -146.3 133.9 20.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.932 2.093 . . . . 0.0 111.156 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -135.21 165.73 24.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 0.0 112.948 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -145.63 145.7 31.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 110.425 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.9 t -142.93 165.36 27.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.958 1.703 . . . . 0.0 111.11 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -122.65 119.73 31.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.686 1.595 . . . . 0.0 108.283 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.29 154.95 50.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.781 1.632 . . . . 0.0 112.328 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.37 -35.2 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 122.962 0.505 . . . . 0.0 111.962 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -155.92 172.5 18.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.941 1.696 . . . . 0.0 110.626 172.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.49 49.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.937 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.87 78.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.301 1.841 . . . . 0.0 112.586 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -77.97 -37.05 48.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.638 -0.664 . . . . 0.0 111.448 172.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.8 99.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.421 -1.425 . . . . 0.0 113.645 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.54 -32.89 73.99 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 118.834 -0.603 . . . . 0.0 112.529 170.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.87 -47.55 84.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.827 0.739 . . . . 0.0 112.012 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.11 -52.02 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.136 -0.978 . . . . 0.0 111.645 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.7 m-85 -62.43 -35.44 79.26 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.9 -32.24 70.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.394 -0.816 . . . . 0.0 112.294 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -33.94 73.59 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.79 -1.194 . . . . 0.0 112.685 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -88.02 -29.24 20.86 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.27 7.99 3.96 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 -169.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -68.41 -28.87 67.47 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 122.337 2.335 . . . . 0.0 116.59 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.01 28.2 0.31 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.67 -36.35 78.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.232 1.015 . . . . 0.0 110.897 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.83 -21.61 0.11 Allowed Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.294 1.677 . . . . 0.0 117.294 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.81 -34.43 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 36.48 37.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.078 2.151 . . . . 0.0 114.495 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.86 174.95 50.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.278 1.418 . . . . 0.0 116.287 -169.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.13 135.61 47.74 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.708 1.603 . . . . 0.0 111.281 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -104.07 140.27 38.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.086 1.354 . . . . 0.0 111.481 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -138.89 157.37 46.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.915 2.086 . . . . 0.0 109.71 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -143.66 137.89 28.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.791 1.236 . . . . 0.0 112.44 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.11 109.11 16.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.132 2.173 . . . . 0.0 110.095 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.76 -35.57 70.12 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.36 12.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.199 1.799 . . . . 0.0 115.308 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -129.28 12.1 5.98 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.748 1.619 . . . . 0.0 114.854 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 45.93 32.24 1.28 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.893 1.677 . . . . 0.0 113.721 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 88.7 m -119.13 134.66 55.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.18 -0.95 . . . . 0.0 113.127 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.84 145.7 28.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.048 2.539 . . . . 0.0 110.031 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -126.95 138.37 53.27 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.818 0.847 . . . . 0.0 110.838 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.96 130.08 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.507 1.923 . . . . 0.0 109.384 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 94.4 m -134.66 121.33 20.69 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.683 0.793 . . . . 0.0 111.401 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 126.136 1.774 . . . . 0.0 112.477 177.45 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -72.91 134.38 44.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.996 0.918 . . . . 0.0 111.477 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -124.86 157.61 35.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.369 1.867 . . . . 0.0 111.545 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -132.8 155.25 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.603 1.161 . . . . 0.0 112.533 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.51 133.4 45.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.975 2.51 . . . . 0.0 110.17 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.61 123.88 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.686 1.594 . . . . 0.0 109.327 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.84 117.99 35.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.246 1.418 . . . . 0.0 110.529 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.24 110.97 17.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.917 1.687 . . . . 0.0 110.767 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.0 172.71 31.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.18 0.895 . . . . 0.0 114.897 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -77.64 -33.7 53.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.874 1.27 . . . . 0.0 112.99 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 p -83.83 -29.66 27.12 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.827 1.651 . . . . 0.0 114.068 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -151.87 149.36 28.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 112.472 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -140.75 138.97 34.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.816 1.246 . . . . 0.0 109.521 169.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.02 -170.59 43.74 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.271 1.269 . . . . 0.0 116.271 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -145.74 145.3 30.8 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.671 1.589 . . . . 0.0 113.244 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 p -136.58 161.95 34.48 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 142.67 31.87 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.151 1.38 . . . . 0.0 110.811 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.5 t -145.99 166.16 26.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.708 1.603 . . . . 0.0 110.587 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.84 127.77 52.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 110.565 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.22 166.0 24.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.112 1.765 . . . . 0.0 111.18 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -40.43 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.174 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.29 170.02 22.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.167 1.387 . . . . 0.0 110.498 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.67 17.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.006 1.723 . . . . 0.0 113.207 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.9 61.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.241 1.416 . . . . 0.0 111.372 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.2 m -70.47 -43.18 70.34 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.834 -1.166 . . . . 0.0 112.224 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.87 88.58 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.636 -1.29 . . . . 0.0 113.739 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.38 -31.18 67.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.643 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.36 -46.44 86.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.809 1.186 . . . . 0.0 111.194 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.44 -53.12 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 O-C-N 121.225 -0.922 . . . . 0.0 111.01 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -60.11 -38.23 82.36 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.46 -25.29 65.82 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.548 -0.72 . . . . 0.0 112.575 173.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.9 -39.7 87.52 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 119.601 -1.937 . . . . 0.0 112.43 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.55 -26.75 45.74 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -132.28 30.4 4.2 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -62.02 -56.42 19.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -158.05 25.67 0.26 Allowed 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -170.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -55.92 -42.5 76.2 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 122.288 1.042 . . . . 0.0 112.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.57 -31.76 0.07 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.301 1.68 . . . . 0.0 117.301 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.1 -44.1 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 117.998 0.899 . . . . 0.0 112.347 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.56 40.76 0.25 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.865 2.066 . . . . 0.0 114.27 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 169.8 52.33 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.499 0.959 . . . . 0.0 115.499 -169.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.89 121.68 18.55 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 110.279 169.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -82.23 142.27 32.29 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.904 0.882 . . . . 0.0 111.826 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.3 m -139.21 157.88 45.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.378 1.871 . . . . 0.0 109.987 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -143.09 141.32 31.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.867 1.267 . . . . 0.0 113.16 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.97 116.59 27.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.714 2.406 . . . . 0.0 111.904 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.52 -25.67 33.2 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.74 68.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.505 0.722 . . . . 0.0 112.407 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -128.66 1.32 5.5 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.607 1.563 . . . . 0.0 113.511 -171.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt 54.81 38.91 31.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.741 1.617 . . . . 0.0 112.558 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.28 135.94 53.77 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.712 0.768 . . . . 0.0 111.991 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -106.65 145.67 31.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.965 2.506 . . . . 0.0 109.99 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -128.87 144.26 51.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.944 0.898 . . . . 0.0 110.237 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.96 121.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.293 1.837 . . . . 0.0 108.738 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -134.9 139.61 45.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.528 1.131 . . . . 0.0 113.972 -172.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 124.097 0.959 . . . . 0.0 111.198 169.887 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 132.99 39.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.851 0.86 . . . . 0.0 111.236 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.58 157.22 35.95 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.483 1.513 . . . . 0.0 112.015 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -135.4 153.95 51.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.643 1.177 . . . . 0.0 112.339 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.2 130.62 44.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.39 2.276 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -115.3 123.97 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.655 1.582 . . . . 0.0 108.589 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 tp -113.62 119.3 36.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.685 1.594 . . . . 0.0 109.938 -173.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -120.19 113.41 20.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.182 1.393 . . . . 0.0 109.663 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.5 173.04 34.31 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.945 0.783 . . . . 0.0 114.28 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -88.73 -39.87 13.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.705 1.202 . . . . 0.0 111.68 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.4 m -66.7 -51.35 57.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.194 1.398 . . . . 0.0 111.166 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -145.81 149.13 33.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.963 1.305 . . . . 0.0 112.111 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -130.22 156.58 44.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.198 1.799 . . . . 0.0 109.917 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.21 -178.32 48.26 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 116.912 1.525 . . . . 0.0 116.912 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -148.59 128.75 13.69 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.257 2.223 . . . . 0.0 111.247 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -137.56 163.76 30.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.124 0.97 . . . . 0.0 113.119 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.75 144.5 31.85 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 111.267 -172.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -145.36 166.29 26.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.464 1.906 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.92 131.33 56.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.52 1.128 . . . . 0.0 110.114 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.49 159.87 40.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.995 1.718 . . . . 0.0 112.169 -174.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -69.51 -37.53 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.335 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.67 168.33 27.15 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.911 1.685 . . . . 0.0 110.816 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.83 35.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.174 1.79 . . . . 0.0 112.535 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.31 65.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.855 1.262 . . . . 0.0 113.236 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -81.21 -44.68 17.45 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.215 -0.928 . . . . 0.0 111.358 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.58 99.29 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.754 -1.216 . . . . 0.0 113.361 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.45 -42.33 95.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.843 0.857 . . . . 0.0 110.911 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.94 -43.71 95.05 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.31 -48.71 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.441 -1.412 . . . . 0.0 112.058 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.21 -37.23 86.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.784 -1.198 . . . . 0.0 113.381 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.04 -20.53 60.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -72.68 -35.84 67.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 112.372 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -81.3 -36.85 29.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -115.75 30.03 7.61 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.33 -37.82 62.66 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -158.31 -59.91 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.206 1.802 . . . . 0.0 110.285 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 63.99 -72.83 0.05 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 130.012 3.325 . . . . 0.0 112.895 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.78 16.6 0.12 Allowed Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.514 1.53 . . . . 0.0 114.992 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.01 -29.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 39.39 47.38 1.51 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.696 1.598 . . . . 0.0 113.744 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 160.69 42.65 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.274 0.94 . . . . 0.0 115.157 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.57 121.06 20.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.81 1.644 . . . . 0.0 110.65 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -84.95 140.16 31.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.792 0.837 . . . . 0.0 111.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.95 154.29 48.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.303 2.241 . . . . 0.0 109.201 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -143.95 139.15 28.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.612 1.096 . . . . 0.0 112.421 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -118.04 113.14 21.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.002 2.121 . . . . 0.0 109.776 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.23 -33.72 63.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.534 -0.729 . . . . 0.0 112.836 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.69 -19.83 2.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.203 2.201 . . . . 0.0 115.191 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 27.2 p -129.01 6.63 5.45 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.531 1.933 . . . . 0.0 113.824 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 38.05 40.19 0.29 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.09 1.756 . . . . 0.0 114.308 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.0 m -126.08 136.9 53.47 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.704 0.764 . . . . 0.0 112.371 -169.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.16 145.58 30.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.216 2.207 . . . . 0.0 109.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 40.4 m -130.14 137.04 49.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.264 1.025 . . . . 0.0 110.212 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.35 122.13 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.914 1.686 . . . . 0.0 109.17 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 86.4 m -134.86 140.05 45.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.408 1.083 . . . . 0.0 112.387 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 118.031 -0.985 . . . . 0.0 111.624 169.751 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.0 133.6 44.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.974 0.91 . . . . 0.0 110.969 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.84 156.71 37.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.787 1.635 . . . . 0.0 111.572 171.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.64 154.65 49.88 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.664 1.185 . . . . 0.0 112.701 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.62 115.57 13.99 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.724 2.41 . . . . 0.0 110.426 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -92.64 127.28 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.913 1.285 . . . . 0.0 108.933 172.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.6 tp -107.84 119.11 38.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.069 1.348 . . . . 0.0 111.142 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.99 134.98 55.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.428 1.491 . . . . 0.0 109.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.91 177.75 47.71 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -98.31 -5.86 32.1 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -128.94 -23.72 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.77 2.028 . . . . 0.0 113.818 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 142.57 23.0 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.006 1.722 . . . . 0.0 110.322 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -139.78 148.02 41.62 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.762 1.225 . . . . 0.0 110.611 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.35 -167.05 40.22 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.549 1.379 . . . . 0.0 116.549 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -144.24 131.63 20.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.328 1.851 . . . . 0.0 111.208 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 p -134.25 159.11 41.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.315 1.046 . . . . 0.0 112.56 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -146.33 140.95 26.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.798 1.239 . . . . 0.0 111.142 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -142.36 165.54 27.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.983 1.713 . . . . 0.0 110.47 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -118.41 122.72 43.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.617 1.567 . . . . 0.0 110.193 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.24 166.26 23.84 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.469 1.508 . . . . 0.0 111.326 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.48 -42.3 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.875 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.48 167.87 25.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.208 1.403 . . . . 0.0 112.001 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.2 -30.92 29.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.145 -1.843 . . . . 0.0 112.745 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.28 61.21 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.818 1.247 . . . . 0.0 112.037 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.4 m -69.52 -44.79 70.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.527 -1.358 . . . . 0.0 112.079 172.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.02 87.47 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.757 -1.214 . . . . 0.0 113.29 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.48 -39.89 94.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.351 0.66 . . . . 0.0 110.95 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -65.52 -45.71 82.43 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.484 -0.76 . . . . 0.0 112.93 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.12 -50.9 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.818 -1.176 . . . . 0.0 111.523 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.38 -40.56 91.28 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.313 -0.867 . . . . 0.0 113.072 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.96 -21.33 64.19 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.45 -43.68 63.42 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.41 1.459 . . . . 0.0 112.776 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -70.8 -27.96 64.29 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.96 31.31 6.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.79 -60.66 2.66 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.79 22.59 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.997 1.719 . . . . 0.0 113.624 -171.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.84 -32.06 72.36 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 121.108 -0.995 . . . . 0.0 111.55 174.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.78 -21.02 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.74 -62.37 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.711 1.255 . . . . 0.0 112.072 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 39.56 41.56 0.77 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.788 1.635 . . . . 0.0 113.709 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.13 -171.31 33.79 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.635 1.588 . . . . 0.0 117.067 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -87.88 118.26 27.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.253 1.821 . . . . 0.0 112.617 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -88.95 143.55 26.79 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.028 1.331 . . . . 0.0 113.513 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -139.01 156.82 46.92 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 127.544 2.337 . . . . 0.0 110.265 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -140.86 141.11 34.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.063 1.301 . . . . 0.0 114.15 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -117.97 118.63 32.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.89 2.876 . . . . 0.0 112.369 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -82.73 -28.22 30.61 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.42 -24.87 58.16 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.959 0.904 . . . . 0.0 112.995 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 p -128.7 -6.52 5.13 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.528 1.531 . . . . 0.0 113.704 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.24 44.21 22.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.585 1.554 . . . . 0.0 110.978 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 m -116.99 138.48 51.53 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.505 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.55 145.87 37.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.283 2.633 . . . . 0.0 109.138 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -133.51 121.77 22.65 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.479 0.712 . . . . 0.0 111.383 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.61 130.59 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.584 1.554 . . . . 0.0 110.16 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -134.85 140.07 45.53 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 127.291 2.237 . . . . 0.0 110.851 169.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -73.05 133.24 44.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.794 0.838 . . . . 0.0 111.448 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.66 158.49 33.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.947 1.699 . . . . 0.0 111.903 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.68 154.01 51.26 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.81 1.244 . . . . 0.0 112.576 -173.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.27 131.63 44.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.315 2.246 . . . . 0.0 109.863 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 45.4 mt -114.86 126.1 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.839 1.656 . . . . 0.0 108.484 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -111.8 119.48 38.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.364 1.466 . . . . 0.0 109.939 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.93 124.36 45.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.073 1.349 . . . . 0.0 109.207 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.15 173.41 45.52 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -83.73 -40.96 18.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.968 1.307 . . . . 0.0 113.491 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -82.43 -30.95 29.77 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.52 146.16 25.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.088 1.355 . . . . 0.0 112.771 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -131.04 154.85 47.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.038 1.735 . . . . 0.0 109.687 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.0 -173.96 42.9 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -145.96 133.92 21.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.634 1.974 . . . . 0.0 110.683 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.6 p -138.95 165.85 26.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.321 1.048 . . . . 0.0 112.833 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 145.31 30.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.381 1.472 . . . . 0.0 111.453 -170.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 166.31 26.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.262 1.825 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.39 120.76 29.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.354 1.061 . . . . 0.0 110.76 169.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.19 168.94 17.14 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.225 1.81 . . . . 0.0 111.405 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.98 -40.34 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.546 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.07 170.09 21.97 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.299 1.44 . . . . 0.0 110.256 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.2 -27.61 22.61 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.299 1.84 . . . . 0.0 113.218 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.54 -34.61 58.53 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.773 1.229 . . . . 0.0 112.152 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.1 m -75.79 -41.47 52.8 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.83 -1.169 . . . . 0.0 111.264 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.42 86.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.774 -1.204 . . . . 0.0 113.332 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.7 -40.16 96.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.753 0.821 . . . . 0.0 111.298 170.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.9 -44.55 89.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.2 -51.48 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 O-C-N 120.27 -1.519 . . . . 0.0 111.518 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.23 -38.24 82.79 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.3 -20.47 59.09 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.74 -43.59 68.55 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.791 -1.193 . . . . 0.0 111.779 169.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -75.93 -36.73 59.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.72 32.31 6.07 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.462 1.505 . . . . 0.0 114.249 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -51.32 -42.87 61.51 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -160.42 -51.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.622 1.969 . . . . 0.0 110.99 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.85 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 129.018 2.927 . . . . 0.0 113.267 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.99 29.27 0.65 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 127.118 2.294 . . . . 0.0 112.515 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.2 -54.12 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.414 1.485 . . . . 0.0 111.517 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 39.52 41.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.077 1.751 . . . . 0.0 113.922 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.48 174.85 54.98 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.818 1.199 . . . . 0.0 115.012 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.5 141.5 44.9 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.214 1.406 . . . . 0.0 111.251 170.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.94 141.95 37.34 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.212 1.405 . . . . 0.0 112.357 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -138.7 153.16 48.5 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.894 2.078 . . . . 0.0 109.705 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -145.33 144.0 30.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.731 1.212 . . . . 0.0 112.402 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.07 114.16 22.69 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.572 1.949 . . . . 0.0 111.427 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.74 -11.37 58.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.455 -1.403 . . . . 0.0 114.398 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.42 -20.11 55.07 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.315 3.0 t -129.71 7.32 5.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt 53.2 39.18 29.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.902 1.681 . . . . 0.0 114.033 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -126.12 139.72 53.15 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.229 . . . . 0.0 110.749 -172.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.27 145.58 39.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.776 2.43 . . . . 0.0 109.108 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.5 m -131.44 135.86 47.49 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.876 0.87 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.98 123.29 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.45 1.5 . . . . 0.0 109.608 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -134.99 139.91 45.25 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 113.07 -172.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.44 169.77 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.13 131.48 42.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.316 0.647 . . . . 0.0 110.812 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.9 159.08 31.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.76 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -134.46 154.91 51.17 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.768 1.227 . . . . 0.0 112.606 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.93 129.56 40.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.686 2.395 . . . . 0.0 110.489 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -111.41 124.76 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.474 1.509 . . . . 0.0 109.123 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 tp -112.14 116.22 30.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.789 1.236 . . . . 0.0 111.069 -172.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.14 114.39 21.88 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.881 1.672 . . . . 0.0 110.758 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.29 170.57 35.63 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.466 1.508 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -86.64 -35.72 19.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -75.69 -46.21 32.58 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.386 0.674 . . . . 0.0 111.61 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -144.4 150.18 37.31 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.348 1.459 . . . . 0.0 111.971 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.23 158.59 42.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.504 1.922 . . . . 0.0 109.905 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.17 -172.49 44.83 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 116.69 1.436 . . . . 0.0 116.69 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.78 133.64 21.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.597 1.959 . . . . 0.0 111.774 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 p -137.41 158.28 44.74 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -143.32 140.47 30.58 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.025 1.33 . . . . 0.0 111.33 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.17 166.17 26.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.915 2.086 . . . . 0.0 111.075 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.24 125.7 44.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.675 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 171.2 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.218 1.807 . . . . 0.0 111.168 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.16 -40.41 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.186 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -151.24 169.9 20.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.523 1.529 . . . . 0.0 112.654 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.13 51.13 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.142 1.377 . . . . 0.0 113.47 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.78 -36.91 49.98 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.3 1.04 . . . . 0.0 111.072 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -68.95 -44.22 73.43 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.674 -1.266 . . . . 0.0 111.794 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.56 82.09 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.775 -1.203 . . . . 0.0 113.41 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.74 -39.35 94.07 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.491 0.716 . . . . 0.0 110.691 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -65.81 -44.85 84.4 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.282 -0.886 . . . . 0.0 112.893 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -51.01 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 120.339 -1.475 . . . . 0.0 111.066 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.77 -39.85 82.19 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -67.58 -26.24 66.18 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.81 -41.71 67.91 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.159 -1.588 . . . . 0.0 112.732 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.07 -34.53 66.3 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -130.75 116.92 18.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.148 1.379 . . . . 0.0 113.217 -170.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -164.18 -39.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -159.8 15.85 0.15 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -56.73 -39.05 73.24 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.163 0.982 . . . . 0.0 110.706 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.62 30.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.229 0 N-CA-C 117.866 1.907 . . . . 0.0 117.866 -174.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.1 -49.16 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 42.13 41.89 2.22 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.657 1.583 . . . . 0.0 114.607 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.85 54.94 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.56 1.076 . . . . 0.0 114.934 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -74.3 123.1 23.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.918 1.287 . . . . 0.0 111.775 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -80.37 141.77 35.06 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 112.398 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -138.92 154.59 48.36 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.043 2.137 . . . . 0.0 109.748 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -142.54 136.61 29.46 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.636 1.107 . . . . 0.0 112.685 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -117.95 102.03 8.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.009 2.124 . . . . 0.0 110.55 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -29.79 69.8 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -20.85 47.86 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -129.02 12.69 6.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.691 1.997 . . . . 0.0 113.067 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt 42.09 44.1 3.0 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.044 1.738 . . . . 0.0 114.432 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.1 m -128.54 135.92 50.05 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.899 0.857 . . . . 0.0 112.591 -171.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -100.53 145.68 28.02 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.979 2.512 . . . . 0.0 109.707 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.5 m -127.04 148.61 50.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.087 0.955 . . . . 0.0 109.994 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.94 122.78 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.086 1.754 . . . . 0.0 108.736 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -134.84 111.6 10.02 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.773 1.229 . . . . 0.0 111.711 169.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -77.03 131.16 38.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.517 0.727 . . . . 0.0 110.964 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.72 158.41 33.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.869 1.668 . . . . 0.0 111.544 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.52 154.23 51.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.706 1.203 . . . . 0.0 112.923 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.62 114.93 13.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.183 2.193 . . . . 0.0 110.986 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -94.76 127.71 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.929 1.291 . . . . 0.0 109.277 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.84 119.8 40.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.622 1.969 . . . . 0.0 110.445 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.3 134.22 55.22 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.209 1.004 . . . . 0.0 108.989 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.33 48.45 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.36 -41.08 5.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.393 1.477 . . . . 0.0 112.016 -173.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 44.3 m -75.29 -31.8 60.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.698 1.199 . . . . 0.0 112.566 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -151.55 146.96 26.25 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.53 1.132 . . . . 0.0 113.255 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -132.61 150.16 52.2 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.272 1.429 . . . . 0.0 109.098 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.13 -174.55 45.96 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -146.76 134.22 20.82 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.993 2.117 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.8 p -136.69 164.95 27.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.856 0.863 . . . . 0.0 113.063 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -146.38 146.15 30.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.151 1.38 . . . . 0.0 111.016 -171.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.418 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 6.8 t -145.0 166.04 26.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.165 1.786 . . . . 0.0 111.525 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -126.66 115.02 18.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.193 1.397 . . . . 0.0 111.023 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.12 161.76 34.43 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.722 1.609 . . . . 0.0 111.899 -170.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.18 -36.17 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.86 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -153.62 169.31 23.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.203 1.801 . . . . 0.0 111.23 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.55 62.11 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.456 1.102 . . . . 0.0 113.21 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.06 -35.11 64.25 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.141 -0.974 . . . . 0.0 111.78 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.3 m -69.17 -43.38 74.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 111.549 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.36 94.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.642 -1.286 . . . . 0.0 113.583 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.69 -39.43 91.43 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.052 0.941 . . . . 0.0 110.964 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.51 -42.43 87.36 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.86 -50.37 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.359 -1.463 . . . . 0.0 111.565 171.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' B' ' 18' ' ' THR . 25.4 m-85 -62.76 -34.6 77.57 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.039 -1.038 . . . . 0.0 113.593 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.61 -20.39 60.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.82 -37.86 62.19 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.043 -1.036 . . . . 0.0 112.079 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -77.17 -33.0 56.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 172.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.6 29.79 7.02 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.395 1.478 . . . . 0.0 114.682 -170.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.98 -44.11 63.89 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -158.27 -70.86 0.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 26.94 59.96 0.09 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 128.849 2.86 . . . . 0.0 117.231 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.68 11.6 85.29 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 120.245 -1.534 . . . . 0.0 116.124 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.58 -60.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.949 1.3 . . . . 0.0 111.346 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 36.93 44.04 0.33 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.36 1.864 . . . . 0.0 114.297 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.52 178.95 47.63 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.047 1.308 . . . . 0.0 115.896 -169.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.98 140.84 37.92 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.443 1.497 . . . . 0.0 111.537 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -108.57 142.36 39.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.409 1.484 . . . . 0.0 112.75 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -138.87 154.81 48.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.912 2.085 . . . . 0.0 109.672 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -144.44 145.21 31.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.858 1.263 . . . . 0.0 112.882 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -117.97 116.34 26.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.17 2.188 . . . . 0.0 110.935 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.11 -28.18 61.23 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.124 -0.985 . . . . 0.0 113.585 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.4 59.95 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.346 2.7 t -129.17 10.52 5.83 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 53.97 33.25 17.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.463 1.505 . . . . 0.0 112.381 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -119.98 134.99 55.08 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.963 -170.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.76 145.62 29.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.593 2.357 . . . . 0.0 109.567 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -128.11 137.1 51.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.872 0.869 . . . . 0.0 110.348 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.01 128.16 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.91 1.684 . . . . 0.0 109.603 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.73 139.23 45.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.157 0.983 . . . . 0.0 111.378 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.227 1.011 . . . . 0.0 112.003 171.09 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.08 133.91 44.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.039 0.936 . . . . 0.0 111.705 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.82 160.02 29.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.461 1.904 . . . . 0.0 111.728 170.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -134.0 155.24 50.32 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.997 1.319 . . . . 0.0 112.941 -174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.31 130.44 37.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.748 2.419 . . . . 0.0 110.641 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.3 mt -112.35 125.12 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.45 1.5 . . . . 0.0 109.545 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.8 tp -108.16 119.09 38.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 0.0 111.469 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.02 112.83 19.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.31 1.844 . . . . 0.0 109.774 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.84 176.09 40.69 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.798 0.679 . . . . 0.0 114.798 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -93.21 -37.72 11.93 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.345 1.458 . . . . 0.0 111.517 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -75.05 -36.29 61.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.458 1.503 . . . . 0.0 112.668 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -151.94 150.52 30.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.308 1.443 . . . . 0.0 111.514 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.96 148.24 48.4 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.432 1.493 . . . . 0.0 109.163 169.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -173.14 44.09 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 116.712 1.445 . . . . 0.0 116.712 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -144.17 131.58 20.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.367 1.867 . . . . 0.0 111.348 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -133.61 162.4 32.02 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.232 1.013 . . . . 0.0 113.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.52 144.9 31.56 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.13 1.372 . . . . 0.0 110.928 -171.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.3 t -146.59 165.67 28.8 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.461 1.504 . . . . 0.0 110.845 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -122.7 126.14 46.96 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.004 1.321 . . . . 0.0 110.53 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 171.19 14.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.967 1.707 . . . . 0.0 110.971 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.19 -46.68 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.299 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -146.89 166.77 25.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.027 1.331 . . . . 0.0 113.572 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.78 -29.57 28.18 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.669 1.587 . . . . 0.0 113.039 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -41.66 49.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.324 1.05 . . . . 0.0 110.854 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -64.91 -47.18 78.68 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.73 -1.231 . . . . 0.0 112.003 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -38.07 82.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.812 -1.18 . . . . 0.0 113.646 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.87 -37.39 86.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.55 0.74 . . . . 0.0 110.749 171.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.94 -44.62 80.18 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.233 0.924 . . . . 0.0 112.905 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.84 -52.29 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.986 1.266 . . . . 0.0 110.783 173.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.1 m-85 -59.98 -36.32 76.89 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -66.56 -22.29 66.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 173.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -40.99 71.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.023 -1.673 . . . . 0.0 113.007 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -79.23 -25.68 42.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -130.11 111.26 12.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.056 1.343 . . . . 0.0 112.325 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -158.76 -63.55 0.08 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.354 1.062 . . . . 0.0 112.015 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -158.78 17.08 0.19 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.09 1.756 . . . . 0.0 114.796 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.66 -38.73 72.6 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.698 -0.626 . . . . 0.0 111.268 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.37 17.04 0.05 OUTLIER Glycine 0 N--CA 1.471 1.024 0 N-CA-C 117.849 1.9 . . . . 0.0 117.849 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.01 -46.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.15 43.28 1.88 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.986 1.314 . . . . 0.0 113.448 -170.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 172.55 51.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.93 129.82 34.92 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.382 2.273 . . . . 0.0 111.398 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -92.5 144.93 24.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.037 1.335 . . . . 0.0 113.498 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.99 156.47 47.2 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.027 1.731 . . . . 0.0 109.89 169.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -143.4 137.64 28.82 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.563 1.145 . . . . 0.0 112.759 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.14 110.02 17.1 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.151 2.18 . . . . 0.0 110.616 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -29.91 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.782 0.833 . . . . 0.0 113.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.51 -25.35 10.05 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 113.411 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.9 p -128.81 9.47 5.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.669 1.987 . . . . 0.0 112.442 -173.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.7 mmtm 38.16 43.61 0.59 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.526 1.93 . . . . 0.0 114.422 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -126.85 134.67 50.47 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.947 0.879 . . . . 0.0 112.656 -170.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.24 145.77 29.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.688 2.795 . . . . 0.0 110.033 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m -125.54 142.78 51.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.188 0.995 . . . . 0.0 109.973 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.67 124.26 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.302 1.841 . . . . 0.0 109.007 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.72 139.38 45.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.817 1.247 . . . . 0.0 113.291 -173.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 124.108 0.963 . . . . 0.0 111.466 169.901 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.31 133.43 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 111.296 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -124.72 156.53 37.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.103 1.761 . . . . 0.0 111.804 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -133.62 152.83 51.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 112.585 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -132.77 112.29 11.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.813 2.045 . . . . 0.0 111.129 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.64 123.89 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.315 1.446 . . . . 0.0 108.721 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HG11 ' B' ' 39' ' ' VAL . 30.8 tp -113.61 119.25 36.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.213 1.405 . . . . 0.0 110.116 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 123.29 42.89 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 13' ' ' LYS . . . -152.53 177.7 30.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.693 1.139 . . . . 0.0 114.584 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -101.35 -0.49 35.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.502 1.121 . . . . 0.0 113.341 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -131.31 -41.98 1.08 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.713 2.005 . . . . 0.0 110.783 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -136.32 145.45 45.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.114 1.365 . . . . 0.0 111.703 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' B' ' 9' ' ' GLY . 97.4 mttt -136.45 156.23 48.89 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.611 1.965 . . . . 0.0 110.203 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.14 -171.91 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 116.577 1.391 . . . . 0.0 116.577 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.59 131.66 23.16 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.49 1.916 . . . . 0.0 110.873 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -136.66 162.63 32.61 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.825 0.85 . . . . 0.0 112.942 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.92 143.74 30.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.457 1.503 . . . . 0.0 111.107 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -144.16 166.16 25.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 111.326 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -119.55 127.48 53.04 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.615 1.566 . . . . 0.0 109.297 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 156.77 48.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.713 1.605 . . . . 0.0 111.709 -171.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.65 -37.52 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.356 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -156.36 173.22 17.2 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.598 1.559 . . . . 0.0 110.898 173.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.06 -30.29 35.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.679 1.992 . . . . 0.0 113.345 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.83 46.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.888 1.275 . . . . 0.0 112.729 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -80.17 -39.21 29.77 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.244 -0.91 . . . . 0.0 111.039 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.56 88.68 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.761 -1.212 . . . . 0.0 112.268 169.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.66 -40.39 96.89 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.401 0.68 . . . . 0.0 111.721 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.49 -42.3 99.4 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.391 0.541 . . . . 0.0 112.34 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.42 -53.84 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.321 -0.862 . . . . 0.0 111.675 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.52 -34.42 77.75 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.19 -25.09 66.78 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.023 -1.048 . . . . 0.0 113.106 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -37.46 84.86 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.704 -1.248 . . . . 0.0 112.942 177.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -91.81 -27.68 17.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -122.35 21.57 10.28 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -53.93 -65.5 0.56 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -162.8 30.33 0.1 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.602 1.961 . . . . 0.0 113.307 -172.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.99 -33.77 76.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.58 23.77 0.02 OUTLIER Glycine 0 N--CA 1.479 1.549 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 173.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 7' ' ' LEU . 14.6 p -157.55 40.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.496 1.518 . . . . 0.0 111.496 -169.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -66.04 44.58 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 128.763 2.825 . . . . 0.0 114.122 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.95 -168.67 45.05 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 126.981 2.229 . . . . 0.0 116.413 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.57 115.08 10.33 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.083 1.353 . . . . 0.0 111.186 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -83.54 142.3 30.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.046 0.939 . . . . 0.0 111.425 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -138.93 155.47 48.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.29 2.236 . . . . 0.0 109.52 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -143.05 141.61 31.35 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.262 1.392 . . . . 0.0 113.493 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.05 120.05 36.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.194 2.598 . . . . 0.0 111.749 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.67 -29.95 29.61 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.063 -1.023 . . . . 0.0 112.989 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.67 -18.22 58.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.117 1.367 . . . . 0.0 114.19 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -128.89 -5.7 5.06 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt 54.19 40.41 31.65 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.755 1.222 . . . . 0.0 111.72 -174.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -116.52 138.39 51.43 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -170.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -112.36 145.58 39.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.7 2.0 . . . . 0.0 108.987 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.4 m -132.41 133.92 44.5 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.857 0.863 . . . . 0.0 109.888 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -125.32 127.35 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.341 1.456 . . . . 0.0 109.263 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -134.6 139.54 45.42 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -169.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 127.543 2.337 . . . . 0.0 110.683 169.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.28 133.98 36.64 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.032 0.933 . . . . 0.0 112.056 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.01 161.41 26.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.87 2.068 . . . . 0.0 111.815 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -135.56 155.31 50.68 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.869 1.268 . . . . 0.0 113.154 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.56 127.26 45.01 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.58 2.752 . . . . 0.0 109.598 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mt -106.69 125.07 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.581 1.552 . . . . 0.0 109.246 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.69 115.65 29.46 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.78 1.232 . . . . 0.0 110.974 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.14 115.82 24.43 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.599 1.56 . . . . 0.0 111.316 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 172.88 29.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.527 1.537 . . . . 0.0 113.672 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.63 -7.13 58.6 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -135.47 -20.05 1.62 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.996 1.718 . . . . 0.0 112.99 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -151.8 145.58 25.07 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.835 1.654 . . . . 0.0 110.545 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -141.27 152.91 44.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.882 1.273 . . . . 0.0 110.935 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.21 -170.76 43.91 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.36 140.67 30.61 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.935 1.694 . . . . 0.0 112.353 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.94 152.48 51.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.215 1.006 . . . . 0.0 112.927 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -142.38 141.39 32.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 110.696 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -151.31 161.35 42.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.388 1.075 . . . . 0.0 111.357 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.62 121.9 44.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.761 1.624 . . . . 0.0 109.797 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.07 174.04 11.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.726 1.61 . . . . 0.0 110.498 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.25 -44.74 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.929 -0.482 . . . . 0.0 110.371 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -152.02 171.19 18.22 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.96 42.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.31 1.444 . . . . 0.0 113.777 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.86 37.96 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.936 1.244 . . . . 0.0 111.717 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -66.18 -47.19 74.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.114 -1.616 . . . . 0.0 111.598 169.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.56 83.82 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.086 -1.009 . . . . 0.0 113.395 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.42 -40.67 97.82 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.813 0.845 . . . . 0.0 110.984 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.4 -46.52 82.94 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.885 0.766 . . . . 0.0 111.972 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.77 -51.67 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.712 1.142 . . . . 0.0 110.923 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -59.9 -40.59 89.29 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -65.79 -29.17 69.62 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.831 -0.604 . . . . 0.0 112.489 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.81 -44.0 91.3 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.333 1.879 . . . . 0.0 112.072 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -79.28 -25.78 42.43 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.22 29.16 5.18 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 -169.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -99.29 115.56 29.44 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.655 -1.278 . . . . 0.0 110.587 169.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 57.09 24.79 10.07 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -58.44 -42.05 86.45 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-O 123.221 1.486 . . . . 0.0 109.645 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.42 30.01 0.03 OUTLIER Glycine 0 N--CA 1.474 1.217 0 C-N-CA 126.74 2.114 . . . . 0.0 114.824 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.02 40.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.193 1.797 . . . . 0.0 110.492 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.98 44.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.378 2.671 . . . . 0.0 113.989 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.3 -170.73 44.12 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 127.116 2.293 . . . . 0.0 113.946 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.39 115.48 19.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.7 1.2 . . . . 0.0 111.895 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -80.02 136.14 36.52 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.453 0.644 . . . . 0.0 110.753 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -138.97 155.15 48.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.928 2.091 . . . . 0.0 109.815 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -141.94 141.58 32.96 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.941 1.246 . . . . 0.0 113.306 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.07 114.6 23.35 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.344 2.258 . . . . 0.0 112.132 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.52 -11.16 58.66 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.92 -24.67 52.44 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -128.91 11.17 6.04 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.156 1.782 . . . . 0.0 115.169 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 53.52 47.36 24.18 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.701 1.601 . . . . 0.0 113.19 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.0 m -133.46 138.8 46.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.838 0.855 . . . . 0.0 111.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -102.86 145.75 29.32 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.957 2.503 . . . . 0.0 109.043 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -127.81 147.15 50.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 110.026 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -132.92 121.88 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.805 1.642 . . . . 0.0 109.121 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -135.01 111.76 10.05 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.734 169.629 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -74.16 132.42 42.2 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.386 0.675 . . . . 0.0 111.367 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -124.7 159.14 31.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.902 1.681 . . . . 0.0 111.495 170.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -135.02 154.29 51.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.663 1.185 . . . . 0.0 112.646 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.23 130.07 42.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.606 2.362 . . . . 0.0 109.818 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.29 130.64 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.558 1.543 . . . . 0.0 108.81 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.7 tp -112.07 119.71 39.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.313 1.845 . . . . 0.0 109.754 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.3 132.36 56.62 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 172.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.09 -174.34 46.69 Favored Glycine 0 N--CA 1.469 0.888 0 N-CA-C 115.072 0.789 . . . . 0.0 115.072 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -112.53 -34.29 5.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.626 1.57 . . . . 0.0 112.165 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -76.31 -35.03 59.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.226 1.01 . . . . 0.0 112.674 169.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -151.8 152.05 32.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.828 1.651 . . . . 0.0 112.606 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -131.69 155.45 47.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.247 1.819 . . . . 0.0 108.728 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.76 -175.49 43.88 Favored Glycine 0 N--CA 1.476 1.312 0 N-CA-C 117.26 1.664 . . . . 0.0 117.26 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -149.23 132.57 16.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.098 2.159 . . . . 0.0 111.19 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -137.74 166.34 24.22 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 113.318 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 146.02 30.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.325 1.45 . . . . 0.0 111.318 -170.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.407 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -146.26 166.05 27.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.639 1.575 . . . . 0.0 111.125 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -124.81 114.08 18.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.496 1.518 . . . . 0.0 109.652 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.13 163.12 31.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.638 1.575 . . . . 0.0 112.575 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.83 -39.1 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.465 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.28 168.28 26.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.058 1.343 . . . . 0.0 111.307 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.32 38.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.553 1.941 . . . . 0.0 112.424 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.07 68.56 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.871 -1.143 . . . . 0.0 112.489 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -72.69 -45.21 59.97 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.883 -1.136 . . . . 0.0 111.706 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.24 92.93 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.61 -1.306 . . . . 0.0 113.472 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.89 -42.54 98.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.405 0.682 . . . . 0.0 110.898 170.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.04 -49.68 73.63 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.76 -51.57 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.817 1.189 . . . . 0.0 111.367 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.3 m-85 -60.85 -35.42 76.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.13 -24.0 60.55 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -39.04 82.54 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.092 -1.63 . . . . 0.0 112.201 170.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -77.98 -33.49 51.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -118.39 24.32 11.01 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.53 116.33 28.35 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.991 -1.693 . . . . 0.0 111.16 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 t70 54.2 26.42 6.68 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -57.59 -40.99 80.28 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 122.568 1.175 . . . . 0.0 109.562 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.71 -23.66 0.09 OUTLIER Glycine 0 CA--C 1.532 1.153 0 N-CA-C 117.6 1.8 . . . . 0.0 117.6 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.48 -48.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.845 1.323 . . . . 0.0 111.847 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 39.22 40.26 0.5 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.317 1.847 . . . . 0.0 113.536 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.71 -179.97 35.98 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.269 1.414 . . . . 0.0 114.92 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.57 140.69 41.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.841 1.256 . . . . 0.0 111.938 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -107.29 140.06 40.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.447 1.499 . . . . 0.0 112.176 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.98 155.35 48.07 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.412 1.885 . . . . 0.0 109.997 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -142.12 137.41 30.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.835 1.254 . . . . 0.0 111.951 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -118.08 112.49 20.28 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.653 1.981 . . . . 0.0 110.084 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.76 -32.88 62.2 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -10.02 11.7 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 12.9 t -129.2 12.51 6.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.034 1.734 . . . . 0.0 114.299 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 40.66 40.62 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.965 1.706 . . . . 0.0 114.947 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -127.47 137.13 52.6 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -104.91 145.72 30.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.222 2.609 . . . . 0.0 109.401 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.0 m -129.88 137.97 50.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.945 0.898 . . . . 0.0 110.274 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.61 130.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.266 1.826 . . . . 0.0 109.271 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.2 m -134.74 117.12 15.65 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.639 0.776 . . . . 0.0 111.759 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.141 1.776 . . . . 0.0 112.886 176.842 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.384 0.135 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -84.28 131.86 34.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 111.788 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.82 158.81 32.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.794 2.037 . . . . 0.0 112.122 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.16 153.65 49.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.885 1.274 . . . . 0.0 112.795 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.19 130.39 42.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.204 2.202 . . . . 0.0 110.677 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -111.58 127.02 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.533 1.533 . . . . 0.0 109.465 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -113.57 119.4 37.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.112 1.365 . . . . 0.0 111.688 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.81 125.9 49.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 110.469 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.18 174.54 43.02 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.134 1.35 . . . . 0.0 114.153 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -95.23 -32.21 13.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.469 1.108 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 p -77.86 -48.06 17.32 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.095 0.958 . . . . 0.0 111.881 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -145.86 146.58 31.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.165 1.386 . . . . 0.0 112.095 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -132.04 158.97 40.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.726 2.01 . . . . 0.0 110.556 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.08 -174.34 46.71 Favored Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -148.07 133.17 18.28 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.597 1.959 . . . . 0.0 112.202 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -135.37 161.01 36.63 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.55 141.84 27.4 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.277 1.431 . . . . 0.0 111.842 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -145.62 162.42 37.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.889 1.675 . . . . 0.0 111.426 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.79 122.56 43.73 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.761 1.624 . . . . 0.0 109.72 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.99 166.25 23.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.623 1.569 . . . . 0.0 111.791 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.21 -33.38 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.048 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.83 169.73 22.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.626 1.57 . . . . 0.0 108.709 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.0 44.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.793 1.637 . . . . 0.0 112.669 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.94 62.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.157 1.383 . . . . 0.0 112.304 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -71.48 -41.61 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.641 -1.287 . . . . 0.0 111.585 170.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.93 90.64 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.575 1.08 . . . . 0.0 112.834 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.38 -40.4 94.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.953 0.901 . . . . 0.0 111.28 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -64.66 -45.21 87.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 113.157 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.76 -50.92 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.562 -1.336 . . . . 0.0 111.139 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -58.8 -41.98 88.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.44 -29.77 69.98 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.51 -32.01 73.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.195 -1.565 . . . . 0.0 113.356 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -87.09 -23.33 24.94 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 171.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -124.13 15.16 9.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -169.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -90.39 132.13 35.78 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.715 -1.24 . . . . 0.0 110.494 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.51 12.37 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -57.92 -37.12 73.48 Favored 'General case' 0 CA--C 1.558 1.279 0 O-C-N 120.784 -1.198 . . . . 0.0 112.551 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.46 -29.67 0.19 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.911 1.72 . . . . 0.0 116.929 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.91 -42.15 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.055 1.427 . . . . 0.0 112.826 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 39.12 38.05 0.28 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.738 2.015 . . . . 0.0 114.288 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.79 174.34 49.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.976 1.274 . . . . 0.0 115.85 -169.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.84 131.94 35.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.194 1.798 . . . . 0.0 111.483 172.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -95.69 144.99 25.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.778 1.631 . . . . 0.0 112.796 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.96 153.28 48.17 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.912 1.685 . . . . 0.0 109.943 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -144.35 138.5 27.87 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.909 1.284 . . . . 0.0 112.169 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.0 106.77 13.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.878 2.071 . . . . 0.0 110.238 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -69.23 -27.92 65.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.93 0.892 . . . . 0.0 113.289 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -25.27 59.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.548 1.539 . . . . 0.0 113.8 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.4 p -128.73 8.23 5.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.794 1.638 . . . . 0.0 113.018 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 44.9 35.14 1.4 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.015 2.126 . . . . 0.0 113.051 -175.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.4 m -125.5 135.55 52.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 122.213 1.006 . . . . 0.0 113.001 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -108.74 145.96 34.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 129.36 3.064 . . . . 0.0 109.944 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -131.22 147.39 52.59 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.786 -1.196 . . . . 0.0 111.255 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.28 129.0 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.886 2.074 . . . . 0.0 108.896 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -134.44 129.84 35.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.316 1.046 . . . . 0.0 111.608 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.384 1.874 . . . . 0.0 112.415 -176.474 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.52 133.16 41.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.971 0.908 . . . . 0.0 112.291 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.63 156.47 37.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.867 1.667 . . . . 0.0 111.482 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -135.55 154.96 51.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.695 1.198 . . . . 0.0 112.795 -172.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -134.36 129.53 35.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.979 2.112 . . . . 0.0 110.916 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -112.92 127.51 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.485 1.514 . . . . 0.0 109.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -106.69 119.66 39.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.553 1.941 . . . . 0.0 110.781 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.85 117.21 27.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.092 0.957 . . . . 0.0 109.753 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.3 172.15 42.2 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -88.71 -31.59 18.39 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.903 1.281 . . . . 0.0 112.628 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -75.14 -49.06 20.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 0.0 111.65 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -142.7 147.89 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.514 1.126 . . . . 0.0 113.013 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -128.46 151.52 49.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.955 1.302 . . . . 0.0 110.104 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.34 -173.37 43.7 Favored Glycine 0 N--CA 1.474 1.232 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -147.35 136.81 22.69 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.585 1.954 . . . . 0.0 112.045 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -136.55 163.22 31.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.172 0.989 . . . . 0.0 113.554 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -145.1 143.75 30.57 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.195 1.398 . . . . 0.0 111.068 -173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -143.26 166.15 25.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.018 1.727 . . . . 0.0 111.771 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -127.9 110.07 12.2 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.437 1.495 . . . . 0.0 110.469 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.18 157.51 42.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.552 1.541 . . . . 0.0 111.82 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.24 -33.79 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.781 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -156.24 169.8 23.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.565 1.946 . . . . 0.0 110.793 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.69 62.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.577 1.151 . . . . 0.0 113.246 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.76 61.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.506 1.122 . . . . 0.0 112.069 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -72.37 -40.83 67.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.211 1.004 . . . . 0.0 111.549 170.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.32 94.21 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.529 -1.357 . . . . 0.0 112.865 170.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.55 -40.11 95.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.549 0.74 . . . . 0.0 112.146 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.5 -44.54 95.88 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.727 0.694 . . . . 0.0 111.952 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.54 -51.33 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.452 -0.78 . . . . 0.0 111.891 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -62.91 -35.79 81.24 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.691 -1.256 . . . . 0.0 113.8 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.78 -20.6 66.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.709 -1.244 . . . . 0.0 113.422 171.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.46 38.66 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.468 1.031 . . . . 0.0 112.637 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -79.44 -26.72 41.73 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.4 26.05 8.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.333 1.453 . . . . 0.0 114.409 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -50.57 -38.7 46.67 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.56 -60.12 0.05 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.489 1.515 . . . . 0.0 111.883 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m120 50.51 29.86 4.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.326 2.251 . . . . 0.0 115.05 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.18 32.71 9.82 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 126.991 2.234 . . . . 0.0 114.287 -170.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 -42.48 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.486 1.914 . . . . 0.0 111.485 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 35.81 46.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.338 2.255 . . . . 0.0 115.069 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.5 165.83 51.67 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.98 0.8 . . . . 0.0 114.983 -171.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.41 118.71 11.83 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 110.889 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -80.9 143.16 32.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.617 0.767 . . . . 0.0 111.783 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.1 m -139.02 156.72 46.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.276 2.23 . . . . 0.0 109.338 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -144.82 142.16 29.73 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.925 1.239 . . . . 0.0 113.3 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -118.16 117.27 28.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.195 2.198 . . . . 0.0 111.106 171.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.54 -25.79 38.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.89 -15.19 62.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.334 4.0 t -129.18 10.3 5.8 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 169.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt 52.26 35.15 16.2 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.458 -1.401 . . . . 0.0 113.416 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.35 133.99 55.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.413 0.625 . . . . 0.0 111.729 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.39 145.7 29.59 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.364 2.266 . . . . 0.0 109.353 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 52.2 m -130.49 142.83 50.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.927 0.891 . . . . 0.0 110.359 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.42 129.23 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.191 1.796 . . . . 0.0 109.165 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -134.56 126.75 29.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.851 0.86 . . . . 0.0 111.508 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.917 1.687 . . . . 0.0 112.378 178.36 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.13 136.48 44.84 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.94 0.896 . . . . 0.0 111.695 173.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.96 159.23 31.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.471 1.908 . . . . 0.0 111.248 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -133.88 155.17 50.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.721 1.208 . . . . 0.0 113.051 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.47 124.46 27.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.888 2.475 . . . . 0.0 110.463 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -101.53 125.67 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.242 1.417 . . . . 0.0 109.448 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 tp -110.28 114.44 27.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.652 1.181 . . . . 0.0 111.74 -173.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.29 130.98 54.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.471 1.508 . . . . 0.0 108.836 169.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.24 171.04 44.0 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 115.76 1.064 . . . . 0.0 115.76 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -77.25 -21.01 54.37 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.14 -19.08 6.13 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.381 1.472 . . . . 0.0 114.433 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -151.49 145.95 25.55 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.02 1.328 . . . . 0.0 111.429 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -137.99 156.06 48.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 109.977 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.31 -163.84 35.22 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -143.94 141.94 30.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.384 1.474 . . . . 0.0 112.656 171.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -138.11 160.54 39.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.369 1.067 . . . . 0.0 113.601 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -143.83 140.94 30.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.245 1.418 . . . . 0.0 110.863 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.4 t -145.03 166.16 26.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 0.0 110.509 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -117.16 127.42 54.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.576 1.55 . . . . 0.0 110.788 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 167.49 21.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.627 1.571 . . . . 0.0 111.558 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.28 -42.72 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.82 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -149.98 168.16 24.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.298 1.439 . . . . 0.0 112.973 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.01 53.54 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.803 1.241 . . . . 0.0 113.213 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.58 61.49 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.099 -1.001 . . . . 0.0 111.326 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -66.52 -47.57 72.52 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.686 -1.258 . . . . 0.0 112.143 170.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.53 83.53 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.639 -1.288 . . . . 0.0 113.595 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.493 0.717 . . . . 0.0 110.714 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.78 -48.8 75.45 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.643 0.656 . . . . 0.0 112.212 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.42 -50.41 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.602 1.092 . . . . 0.0 111.387 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.3 m-85 -60.97 -37.48 82.56 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.67 -23.5 65.33 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.46 78.51 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.157 -1.59 . . . . 0.0 113.415 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -86.6 -23.83 25.6 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -127.67 111.17 13.42 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.037 1.335 . . . . 0.0 111.75 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -171.66 -155.76 0.1 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.766 2.027 . . . . 0.0 109.842 -169.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.09 -6.31 0.06 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.913 2.485 . . . . 0.0 117.184 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -61.0 -35.72 77.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.285 0.634 . . . . 0.0 112.628 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.04 0.17 0.03 OUTLIER Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.76 65.37 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.542 1.537 . . . . 0.0 113.049 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -75.82 48.43 0.47 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.304 1.841 . . . . 0.0 108.84 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.43 -166.87 21.1 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 126.971 2.224 . . . . 0.0 117.475 -169.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.41 146.82 51.74 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.416 1.486 . . . . 0.0 111.661 175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -121.21 133.26 55.16 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.547 1.155 . . . . 0.0 114.087 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 t -139.26 166.71 23.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.773 0.829 . . . . 0.0 111.467 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -149.81 139.42 21.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.985 1.314 . . . . 0.0 112.776 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -118.03 101.47 8.28 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.007 2.123 . . . . 0.0 110.271 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.23 -33.19 74.96 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.02 -20.04 8.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.277 1.431 . . . . 0.0 114.546 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -128.82 8.76 5.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.088 1.755 . . . . 0.0 113.509 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 44.87 46.71 9.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.162 1.385 . . . . 0.0 114.173 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -125.6 136.25 53.06 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.594 0.711 . . . . 0.0 112.656 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -104.19 145.8 29.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.597 2.759 . . . . 0.0 109.62 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -125.72 147.05 49.49 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.741 -0.599 . . . . 0.0 110.502 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -130.42 127.26 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.892 1.677 . . . . 0.0 109.744 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -134.96 139.89 45.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 127.634 2.374 . . . . 0.0 109.846 169.68 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.12 131.61 35.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.637 0.775 . . . . 0.0 112.269 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -124.66 159.91 29.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.732 2.013 . . . . 0.0 111.656 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -135.49 155.16 50.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.527 1.131 . . . . 0.0 113.054 -173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.04 114.93 13.72 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.565 2.346 . . . . 0.0 110.607 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -95.55 125.99 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.902 1.281 . . . . 0.0 109.025 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -110.45 119.55 39.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.047 1.739 . . . . 0.0 110.263 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.88 129.69 54.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.613 1.165 . . . . 0.0 109.379 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.47 -171.47 43.77 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.12 0.866 . . . . 0.0 114.565 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -111.98 -34.93 5.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.823 1.249 . . . . 0.0 113.676 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 36.4 p -74.44 -34.59 63.24 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.25 -0.906 . . . . 0.0 112.781 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 147.06 26.28 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.303 1.441 . . . . 0.0 112.713 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -133.17 150.3 52.01 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.117 1.367 . . . . 0.0 109.838 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.61 44.26 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -145.47 131.86 19.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.947 2.099 . . . . 0.0 110.286 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.3 p -137.15 160.98 37.4 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.939 0.896 . . . . 0.0 112.352 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.49 143.97 29.32 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.03 1.332 . . . . 0.0 111.3 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -143.38 166.14 25.59 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.411 1.884 . . . . 0.0 111.91 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.74 111.23 13.45 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.254 1.422 . . . . 0.0 110.59 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.84 166.57 18.81 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.994 1.718 . . . . 0.0 112.204 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.15 -36.82 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -151.27 163.58 38.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.766 2.027 . . . . 0.0 108.795 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.62 -25.45 7.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.192 1.397 . . . . 0.0 113.786 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.48 71.01 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.658 1.583 . . . . 0.0 111.922 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -72.43 -40.7 66.91 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.183 -0.948 . . . . 0.0 111.322 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.3 89.95 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.643 -1.286 . . . . 0.0 113.979 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.92 -32.73 67.66 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.84 -47.09 87.94 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 118.933 0.788 . . . . 0.0 111.606 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.81 -52.54 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 121.239 -0.913 . . . . 0.0 111.754 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.95 -39.05 73.82 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 112.743 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.21 -20.39 63.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.57 -38.01 89.55 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.199 1.363 . . . . 0.0 112.581 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.95 -26.21 27.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.791 1.236 . . . . 0.0 113.91 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.66 28.06 8.54 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -63.31 73.02 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 127.379 2.272 . . . . 0.0 113.544 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 66.6 -59.68 0.35 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.818 2.847 . . . . 0.0 111.768 -169.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 38.88 37.6 0.22 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 169.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.05 10.66 71.36 Favored Glycine 0 N--CA 1.474 1.226 0 O-C-N 119.366 -2.084 . . . . 0.0 115.783 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.91 -41.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 118.584 1.192 . . . . 0.0 113.659 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 39.81 34.23 0.16 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.408 2.283 . . . . 0.0 116.333 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.49 165.0 47.73 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.464 1.031 . . . . 0.0 115.442 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.26 127.06 31.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.457 1.503 . . . . 0.0 110.422 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -90.47 140.79 29.39 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.752 0.821 . . . . 0.0 111.133 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -138.75 153.81 48.49 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.055 2.142 . . . . 0.0 109.114 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -143.16 139.14 30.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.174 1.352 . . . . 0.0 112.344 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.05 113.13 21.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.654 1.982 . . . . 0.0 109.794 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.98 -38.16 75.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.333 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.89 -11.24 7.28 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.722 . . . . 0.0 115.244 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -129.37 12.41 5.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.621 1.568 . . . . 0.0 114.395 169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 39.44 40.52 0.59 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.366 1.867 . . . . 0.0 115.046 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.6 m -125.91 136.09 52.64 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.69 -0.631 . . . . 0.0 112.161 -170.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.07 145.64 28.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.972 2.109 . . . . 0.0 109.426 173.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -127.38 137.79 52.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 110.026 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.43 127.14 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.228 1.411 . . . . 0.0 109.197 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -134.89 137.12 42.91 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.198 0.999 . . . . 0.0 112.001 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.439 170.1 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.399 0.142 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.95 132.93 44.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.874 0.87 . . . . 0.0 111.048 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.71 156.15 38.1 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.893 1.677 . . . . 0.0 111.443 170.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -135.59 155.31 50.66 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.468 1.107 . . . . 0.0 113.212 -172.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.63 134.08 40.82 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.182 2.193 . . . . 0.0 111.149 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -116.18 120.14 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.629 1.572 . . . . 0.0 109.939 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -99.21 119.46 37.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.08 1.752 . . . . 0.0 111.189 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.87 140.64 49.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.98 1.312 . . . . 0.0 110.187 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.67 178.61 45.62 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.035 0.826 . . . . 0.0 114.229 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -96.11 -37.03 10.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.291 1.436 . . . . 0.0 111.683 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 m -83.52 -29.8 27.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.342 1.457 . . . . 0.0 113.005 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -151.86 149.21 28.72 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.455 1.102 . . . . 0.0 112.475 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -135.89 155.61 50.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.331 1.453 . . . . 0.0 109.107 169.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.74 -172.83 43.85 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.15 136.64 24.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.154 1.782 . . . . 0.0 112.455 177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 p -134.65 160.06 39.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.143 0.977 . . . . 0.0 113.405 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.4 28.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.936 1.294 . . . . 0.0 110.857 -173.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.73 166.08 25.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.032 1.733 . . . . 0.0 111.361 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.06 117.99 26.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.993 1.717 . . . . 0.0 109.211 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.14 166.4 23.48 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.065 1.346 . . . . 0.0 111.249 -170.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -75.16 -25.59 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.402 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -163.32 165.09 24.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.599 1.56 . . . . 0.0 108.385 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -29.65 61.19 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.565 1.546 . . . . 0.0 112.506 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.7 52.31 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.244 1.417 . . . . 0.0 111.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 m -65.54 -46.05 81.04 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.596 -1.315 . . . . 0.0 112.197 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.43 91.47 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.175 -0.953 . . . . 0.0 113.052 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.12 -41.38 96.59 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.088 0.555 . . . . 0.0 111.408 171.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.36 -47.24 80.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.338 0.972 . . . . 0.0 112.665 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -55.81 -51.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.313 0.96 . . . . 0.0 110.552 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -59.32 -39.63 83.69 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.57 -22.83 67.08 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.25 -42.54 79.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.112 -1.618 . . . . 0.0 112.748 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -84.0 -19.83 33.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.682 1.193 . . . . 0.0 114.138 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -130.5 108.39 9.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.118 1.367 . . . . 0.0 112.394 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -171.17 -157.11 0.12 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.287 2.235 . . . . 0.0 109.925 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.06 -3.6 0.85 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -55.82 -34.18 65.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.481 0.712 . . . . 0.0 112.09 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.59 -15.98 0.02 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 117.781 1.873 . . . . 0.0 117.781 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.17 -50.48 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 119.281 1.541 . . . . 0.0 115.028 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 35.56 42.72 0.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.884 2.074 . . . . 0.0 114.33 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.19 172.57 54.73 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 116.33 1.292 . . . . 0.0 116.33 -169.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.55 116.06 13.69 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.741 1.616 . . . . 0.0 110.329 170.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -80.44 142.35 34.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.013 0.925 . . . . 0.0 112.194 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -138.95 153.07 48.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.025 2.13 . . . . 0.0 109.202 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -144.03 134.6 24.82 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.356 1.063 . . . . 0.0 112.391 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -118.16 102.24 8.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.693 1.997 . . . . 0.0 110.75 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.78 -31.18 71.65 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -19.85 15.05 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 114.018 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -128.79 12.73 6.31 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.829 2.052 . . . . 0.0 112.87 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 41.45 43.38 2.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.346 1.858 . . . . 0.0 114.765 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.9 m -129.75 137.46 50.56 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.816 0.817 . . . . 0.0 112.271 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.46 145.61 28.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.192 2.597 . . . . 0.0 110.074 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -129.17 141.0 51.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.035 0.934 . . . . 0.0 109.913 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.0 t -132.61 129.45 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.392 1.477 . . . . 0.0 109.402 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.9 m -134.68 138.83 44.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.539 1.135 . . . . 0.0 111.881 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 124.421 1.088 . . . . 0.0 112.119 173.296 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.48 132.63 40.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.427 0.691 . . . . 0.0 111.184 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.62 155.9 38.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.892 1.677 . . . . 0.0 111.303 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -135.44 155.21 50.91 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.485 1.114 . . . . 0.0 112.607 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.01 136.88 50.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.879 2.471 . . . . 0.0 110.04 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mt -117.8 118.4 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.772 1.629 . . . . 0.0 109.262 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 40.8 tp -97.5 119.59 36.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.57 1.948 . . . . 0.0 110.435 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.01 137.25 54.2 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.841 0.856 . . . . 0.0 108.718 169.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.08 171.84 40.26 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 114.909 0.724 . . . . 0.0 114.909 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -78.93 -29.06 43.9 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.29 1.436 . . . . 0.0 114.061 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -104.06 -24.23 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.329 1.452 . . . . 0.0 113.975 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.57 146.15 25.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.168 1.387 . . . . 0.0 113.025 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.95 150.95 50.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.44 1.096 . . . . 0.0 110.361 169.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -171.46 43.44 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.275 1.27 . . . . 0.0 116.275 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -147.56 142.86 27.31 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.032 1.733 . . . . 0.0 112.696 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -136.83 157.5 46.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.265 1.026 . . . . 0.0 113.219 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -142.8 141.68 31.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.922 1.289 . . . . 0.0 111.317 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -145.24 166.19 26.2 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.835 2.054 . . . . 0.0 111.528 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -128.38 118.34 23.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.954 1.302 . . . . 0.0 111.126 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.66 166.87 21.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.653 1.581 . . . . 0.0 111.754 -170.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.61 -34.8 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.072 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.83 167.51 29.43 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.187 1.795 . . . . 0.0 110.484 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -35.17 51.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.91 1.684 . . . . 0.0 112.713 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.57 63.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.706 1.202 . . . . 0.0 112.906 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -75.15 -41.21 58.75 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.437 -0.79 . . . . 0.0 111.142 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.42 98.89 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.865 -1.147 . . . . 0.0 112.868 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.23 -43.22 87.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.548 1.139 . . . . 0.0 111.047 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.34 -46.77 85.06 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.34 -47.95 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.464 1.029 . . . . 0.0 111.816 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.93 -41.75 98.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.052 -1.03 . . . . 0.0 112.883 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.67 -25.87 64.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -64.95 -43.42 92.77 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.361 -0.837 . . . . 0.0 112.674 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -75.36 -50.09 17.01 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.267 0.94 . . . . 0.0 112.676 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -85.13 30.05 0.62 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.721 1.608 . . . . 0.0 113.789 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.27 79.21 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 128.373 2.669 . . . . 0.0 114.011 173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 68.88 -66.84 0.23 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.732 2.813 . . . . 0.0 114.379 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 45.37 28.49 0.47 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.49 2.316 . . . . 0.0 115.838 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.55 29.97 18.88 Favored Glycine 0 CA--C 1.545 1.926 0 C-N-CA 128.086 2.755 . . . . 0.0 114.656 -171.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.99 -38.32 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.531 1.932 . . . . 0.0 110.638 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 32.63 44.6 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.734 2.814 . . . . 0.0 116.291 169.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.15 167.12 43.55 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.62 119.69 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.281 1.432 . . . . 0.0 110.013 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -81.28 137.93 35.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.365 0.666 . . . . 0.0 110.907 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -138.88 155.41 48.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.761 2.024 . . . . 0.0 108.752 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -143.14 138.72 29.99 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.523 1.129 . . . . 0.0 112.536 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.22 109.45 16.37 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.425 1.89 . . . . 0.0 110.334 170.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.77 -37.13 85.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.032 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -11.24 18.75 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.23 12.44 6.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.987 1.715 . . . . 0.0 114.291 170.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.61 40.88 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.044 1.738 . . . . 0.0 115.035 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 93.4 m -126.88 138.19 53.27 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.524 0.678 . . . . 0.0 112.556 -170.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -104.53 145.82 29.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.259 2.624 . . . . 0.0 110.045 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -129.73 142.83 50.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.179 0.991 . . . . 0.0 110.321 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.1 t -130.06 120.84 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.159 1.784 . . . . 0.0 108.982 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.2 m -135.06 139.85 45.09 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.474 1.11 . . . . 0.0 111.487 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 119.406 1.003 . . . . 0.0 111.008 169.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.503 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 22.9 ptp . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 111.517 0.192 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.15 135.16 44.65 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.118 0.967 . . . . 0.0 111.927 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -124.91 159.17 31.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.288 1.835 . . . . 0.0 111.615 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -135.45 154.33 51.47 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.691 1.196 . . . . 0.0 113.186 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -133.25 126.83 32.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.713 2.405 . . . . 0.0 110.758 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.57 129.99 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.602 1.561 . . . . 0.0 109.535 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.7 tp -111.69 119.68 39.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.213 1.405 . . . . 0.0 111.567 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.68 139.27 51.24 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.45 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.05 -177.04 41.34 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.528 1.537 . . . . 0.0 114.337 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -107.81 -1.17 21.11 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.221 1.408 . . . . 0.0 113.447 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 m -138.24 -20.62 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.095 1.758 . . . . 0.0 112.75 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -151.68 144.11 24.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.496 1.518 . . . . 0.0 110.843 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -140.38 155.9 46.59 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.696 1.598 . . . . 0.0 110.801 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.69 -172.18 45.21 Favored Glycine 0 N--CA 1.473 1.147 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -146.69 140.92 26.3 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.339 1.856 . . . . 0.0 111.804 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 p -138.89 159.32 42.41 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -139.67 143.11 36.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.334 1.454 . . . . 0.0 110.828 -176.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.455 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -144.86 165.85 26.94 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.639 1.575 . . . . 0.0 110.883 -177.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.6 120.95 35.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.724 1.61 . . . . 0.0 110.268 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 165.63 25.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.376 1.471 . . . . 0.0 111.112 -173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -66.43 -44.07 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p30 -149.91 166.93 28.1 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.331 1.452 . . . . 0.0 113.762 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.77 19.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.833 1.653 . . . . 0.0 113.777 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -41.86 41.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.059 1.344 . . . . 0.0 110.548 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -68.35 -47.96 66.1 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.65 -1.281 . . . . 0.0 112.122 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.47 76.15 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.708 -1.245 . . . . 0.0 113.938 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -75.49 -28.8 59.33 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.596 170.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -65.28 -41.33 94.29 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.883 1.219 . . . . 0.0 111.573 170.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.2 -52.22 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.843 -1.16 . . . . 0.0 110.929 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.9 m-85 -62.4 -32.15 72.93 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -62.12 -27.71 69.13 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.808 0.731 . . . . 0.0 112.595 170.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -41.17 66.04 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.18 -1.575 . . . . 0.0 112.532 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -81.27 -26.21 35.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -131.36 117.08 18.41 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.93 1.292 . . . . 0.0 112.497 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.43 -151.86 0.05 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 126.412 1.885 . . . . 0.0 111.095 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.56 -6.58 3.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.699 2.799 . . . . 0.0 116.247 172.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -49.44 -40.73 37.77 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.858 0.863 . . . . 0.0 111.812 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.2 -39.6 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 116.796 1.479 . . . . 0.0 116.796 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.22 -47.22 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.71 1.255 . . . . 0.0 113.664 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 37.46 38.58 0.14 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.391 1.876 . . . . 0.0 114.749 -172.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.01 44.89 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.025 1.298 . . . . 0.0 115.896 -169.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.5 120.57 22.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.329 1.451 . . . . 0.0 112.008 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -83.04 144.67 29.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.227 1.011 . . . . 0.0 113.536 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -138.79 153.25 48.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.409 1.884 . . . . 0.0 109.955 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -141.37 140.29 33.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.688 1.195 . . . . 0.0 113.095 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -117.92 118.8 32.97 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.784 2.434 . . . . 0.0 111.576 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -82.61 -31.88 28.64 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.16 -0.962 . . . . 0.0 113.098 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.6 -24.04 54.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.935 0.894 . . . . 0.0 112.79 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.2 p -128.77 2.98 5.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.988 1.715 . . . . 0.0 113.514 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 45.4 mmtm 53.71 39.37 30.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.376 1.47 . . . . 0.0 112.234 175.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -125.07 137.7 54.2 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.637 -169.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.95 145.74 34.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.243 2.617 . . . . 0.0 109.23 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.3 m -127.55 146.86 50.38 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.684 0.794 . . . . 0.0 110.428 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.95 128.98 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.668 1.987 . . . . 0.0 108.411 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.76 111.78 10.22 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 126.409 1.883 . . . . 0.0 113.578 177.549 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -73.08 131.39 42.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.902 0.881 . . . . 0.0 111.514 174.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.68 159.34 31.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.752 1.621 . . . . 0.0 111.74 171.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -134.89 153.03 52.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.548 1.139 . . . . 0.0 112.828 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.38 133.15 44.99 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.257 2.223 . . . . 0.0 110.172 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.17 125.59 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.736 1.615 . . . . 0.0 108.421 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.56 119.38 37.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.927 1.691 . . . . 0.0 109.223 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.4 121.54 38.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.795 1.238 . . . . 0.0 109.817 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.37 166.29 35.24 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.472 1.034 . . . . 0.0 114.421 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -73.8 -35.37 64.88 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 0.0 113.729 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.6 p -90.86 -34.07 15.4 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.422 1.089 . . . . 0.0 113.426 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 tt -147.29 143.21 27.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.156 1.382 . . . . 0.0 112.044 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -135.44 152.47 51.42 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.345 1.458 . . . . 0.0 111.13 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.05 -174.64 46.67 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.166 1.226 . . . . 0.0 116.166 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.51 140.2 23.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.756 2.023 . . . . 0.0 111.389 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -139.29 164.14 30.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.297 1.039 . . . . 0.0 113.362 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -142.18 144.92 33.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.405 1.482 . . . . 0.0 110.932 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.442 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -143.63 166.17 25.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.314 1.846 . . . . 0.0 111.186 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -128.69 114.67 16.92 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.113 1.365 . . . . 0.0 110.398 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.88 166.25 22.74 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.74 1.616 . . . . 0.0 111.193 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.73 -39.73 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.344 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -154.18 171.62 18.89 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.003 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -29.44 41.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.226 1.81 . . . . 0.0 113.088 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.33 57.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.106 0.963 . . . . 0.0 111.868 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -71.41 -44.85 64.13 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.735 -1.228 . . . . 0.0 111.326 171.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.53 86.05 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.856 -1.153 . . . . 0.0 113.524 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.55 -42.49 99.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.367 0.667 . . . . 0.0 111.153 170.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.28 -49.51 75.39 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 122.01 -0.431 . . . . 0.0 112.018 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.38 -51.72 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.185 0.994 . . . . 0.0 111.32 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.5 m-85 -59.07 -36.21 74.69 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.48 -20.38 62.08 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 172.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.05 -45.16 74.67 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.659 -1.275 . . . . 0.0 112.17 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.59 -40.28 50.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.315 1.046 . . . . 0.0 113.26 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -110.97 30.97 6.39 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.7 -40.28 69.02 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -159.51 -60.1 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.578 1.951 . . . . 0.0 110.192 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 66.22 -77.62 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.817 3.247 . . . . 0.0 111.44 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.28 11.12 0.32 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.282 1.42 . . . . 0.0 115.565 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.54 -26.03 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -171.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 40.04 45.3 1.62 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.646 1.579 . . . . 0.0 113.835 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 158.07 41.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.966 0.793 . . . . 0.0 114.791 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.74 125.39 26.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.386 1.475 . . . . 0.0 110.519 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -89.61 138.18 31.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.61 0.764 . . . . 0.0 111.597 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.7 m -138.72 152.23 47.82 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.842 2.057 . . . . 0.0 109.288 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -144.34 138.92 28.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.09 1.314 . . . . 0.0 111.935 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -118.01 111.98 19.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.633 1.973 . . . . 0.0 109.538 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -70.31 -36.79 74.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.947 1.299 . . . . 0.0 112.466 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.81 14.93 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -129.52 12.66 5.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.534 1.534 . . . . 0.0 114.795 169.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt 42.59 39.55 1.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -126.11 136.89 53.44 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -106.92 145.62 31.99 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.596 2.358 . . . . 0.0 109.296 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 45.0 m -132.06 135.44 46.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.433 1.093 . . . . 0.0 110.062 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.14 120.23 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.71 1.604 . . . . 0.0 108.834 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.9 m -134.89 139.98 45.42 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.469 1.108 . . . . 0.0 112.752 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 117.927 -1.035 . . . . 0.0 111.54 169.719 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.49 134.54 43.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.001 0.92 . . . . 0.0 111.708 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.84 158.08 34.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.434 1.894 . . . . 0.0 111.222 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -134.48 154.73 51.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.737 1.215 . . . . 0.0 112.899 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.63 126.43 29.16 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.478 2.311 . . . . 0.0 110.678 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -105.01 124.51 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.088 1.355 . . . . 0.0 109.44 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.2 tp -108.07 119.29 39.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.913 1.285 . . . . 0.0 111.455 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.83 126.1 50.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.097 1.359 . . . . 0.0 110.065 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.12 174.65 44.85 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.535 1.064 . . . . 0.0 114.776 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmpt? -91.08 -30.25 16.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.116 1.366 . . . . 0.0 112.972 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -99.64 -21.31 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.18 1.792 . . . . 0.0 114.031 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.51 141.43 22.02 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.566 1.546 . . . . 0.0 111.694 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.39 136.05 32.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.349 1.46 . . . . 0.0 110.241 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.78 -170.97 43.07 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.14 133.12 21.32 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.632 1.973 . . . . 0.0 111.437 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -134.57 162.48 32.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.176 0.99 . . . . 0.0 113.398 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.43 143.56 29.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.855 1.262 . . . . 0.0 111.335 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -144.32 165.84 26.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -121.89 124.06 43.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.164 1.386 . . . . 0.0 110.492 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.27 164.95 26.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.983 1.713 . . . . 0.0 111.334 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.5 -38.7 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.357 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -152.59 168.97 23.84 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 111.76 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.9 -28.9 54.11 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.81 1.244 . . . . 0.0 113.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.57 56.82 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.423 1.089 . . . . 0.0 111.483 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 m -69.47 -43.65 72.78 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.686 -1.259 . . . . 0.0 111.667 170.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.04 86.57 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.545 -1.347 . . . . 0.0 112.896 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -43.23 97.65 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.146 0.579 . . . . 0.0 110.55 169.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.56 -49.69 74.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.358 0.527 . . . . 0.0 111.588 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.25 -51.54 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.339 -0.85 . . . . 0.0 111.689 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -61.76 -38.05 86.55 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -68.06 -29.51 68.49 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.921 -0.487 . . . . 0.0 112.166 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.71 -37.59 87.94 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 119.736 -1.853 . . . . 0.0 112.332 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.48 -27.12 22.86 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -139.29 23.44 2.54 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 119.677 3.214 . . . . 0.0 119.677 -169.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -95.65 -37.72 10.69 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 119.089 -2.257 . . . . 0.0 114.275 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -143.38 9.83 1.64 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 -169.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.07 -28.26 69.34 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.934 -1.104 . . . . 0.0 111.806 170.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.01 -18.11 0.05 OUTLIER Glycine 0 N--CA 1.476 1.346 0 N-CA-C 117.638 1.815 . . . . 0.0 117.638 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.82 -54.79 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 117.912 0.856 . . . . 0.0 112.33 -173.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 39.24 37.86 0.29 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.407 1.883 . . . . 0.0 114.424 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.07 -176.97 40.78 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.386 1.47 . . . . 0.0 115.032 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.6 125.65 32.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.939 1.296 . . . . 0.0 112.251 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -92.56 144.85 24.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.163 1.385 . . . . 0.0 113.422 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 m -139.0 156.04 47.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.346 1.858 . . . . 0.0 110.174 172.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -144.36 137.29 27.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.534 1.133 . . . . 0.0 113.12 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -118.32 103.27 9.65 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.857 2.063 . . . . 0.0 111.233 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.03 -34.85 73.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.987 1.315 . . . . 0.0 113.636 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.25 -21.67 35.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.617 1.167 . . . . 0.0 114.136 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -128.98 12.63 6.19 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.583 1.953 . . . . 0.0 112.948 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 40.37 44.82 1.73 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.168 1.787 . . . . 0.0 114.665 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -127.71 134.62 49.56 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.882 0.849 . . . . 0.0 112.488 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -101.09 145.82 28.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.029 2.932 . . . . 0.0 109.666 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.6 m -125.22 146.36 49.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.733 0.813 . . . . 0.0 110.383 171.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -133.17 127.6 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.127 1.771 . . . . 0.0 109.93 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -134.65 111.69 10.21 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 113.372 176.579 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.55 133.89 42.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.686 0.794 . . . . 0.0 111.2 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.64 160.46 28.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 111.639 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -135.48 153.36 51.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.977 1.311 . . . . 0.0 112.212 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.39 111.02 10.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.747 2.019 . . . . 0.0 110.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mt -87.79 126.28 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.881 1.272 . . . . 0.0 108.607 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.2 tp -113.65 119.65 38.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 110.002 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.86 139.15 52.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.1 -178.6 37.02 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.135 1.35 . . . . 0.0 114.164 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -106.4 5.57 29.59 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.538 1.535 . . . . 0.0 113.736 -176.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.2 m -143.06 -41.71 0.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.913 1.685 . . . . 0.0 111.779 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -138.55 143.25 39.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.962 1.305 . . . . 0.0 111.146 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.27 162.13 33.02 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.615 1.966 . . . . 0.0 110.506 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.61 -170.49 43.13 Favored Glycine 0 N--CA 1.473 1.145 0 N-CA-C 116.552 1.381 . . . . 0.0 116.552 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -144.38 128.29 17.42 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.052 2.141 . . . . 0.0 110.337 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.8 p -133.44 166.32 22.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.127 0.971 . . . . 0.0 112.803 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.22 143.99 29.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.119 1.368 . . . . 0.0 111.752 -169.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -148.09 166.24 28.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.843 1.657 . . . . 0.0 111.204 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -124.58 124.56 42.5 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.675 1.19 . . . . 0.0 111.64 170.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.6 31.4 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 126.417 1.887 . . . . 0.0 112.0 -171.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.1 -38.02 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.458 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -155.07 170.37 21.94 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.726 1.61 . . . . 0.0 110.307 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.89 34.16 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.304 1.842 . . . . 0.0 112.957 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.71 71.4 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.92 1.688 . . . . 0.0 112.331 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -79.28 -39.04 33.96 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.29 -0.881 . . . . 0.0 111.304 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.05 94.2 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.539 -1.351 . . . . 0.0 113.944 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.78 -31.66 69.72 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.84 -44.3 93.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.049 0.84 . . . . 0.0 112.382 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -50.6 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 120.438 -1.414 . . . . 0.0 111.887 173.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.1 -38.36 86.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 113.301 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.88 -22.51 60.75 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.15 -0.969 . . . . 0.0 113.28 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -67.68 -35.92 79.73 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.76 1.164 . . . . 0.0 112.827 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.76 -37.93 39.95 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.81 27.89 9.12 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -58.26 -54.69 44.14 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -164.82 22.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.523 1.929 . . . . 0.0 114.219 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -59.62 -34.06 72.3 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.19 -31.98 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 N-CA-C 117.039 1.576 . . . . 0.0 117.039 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -67.9 -48.4 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 118.903 1.351 . . . . 0.0 113.419 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 37.74 39.36 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.495 1.918 . . . . 0.0 114.353 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.33 173.72 51.82 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.673 1.13 . . . . 0.0 115.669 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.74 120.05 18.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.326 1.451 . . . . 0.0 110.784 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -85.36 139.96 31.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.934 0.894 . . . . 0.0 111.719 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 m -138.86 154.91 48.46 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.404 2.282 . . . . 0.0 109.723 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -144.58 143.25 30.71 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.087 1.312 . . . . 0.0 112.998 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.06 119.2 34.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.535 2.334 . . . . 0.0 111.237 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.61 -26.69 32.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.299 -0.875 . . . . 0.0 113.318 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.26 -18.67 65.3 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -128.88 2.22 5.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.768 -1.56 . . . . 0.0 114.55 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt 50.74 36.12 13.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.626 1.57 . . . . 0.0 112.453 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.95 134.56 54.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.367 -170.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.12 145.69 29.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.922 2.089 . . . . 0.0 109.364 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -128.3 138.69 52.52 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.822 0.849 . . . . 0.0 110.351 173.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.73 130.51 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.801 1.641 . . . . 0.0 108.93 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.6 m -134.67 137.07 43.27 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.296 0.638 . . . . 0.0 112.25 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 C--O 1.248 0.997 0 C-N-CA 128.488 2.715 . . . . 0.0 108.781 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -80.77 135.59 36.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.737 0.815 . . . . 0.0 111.995 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.93 159.36 31.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.033 2.133 . . . . 0.0 111.276 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -135.52 155.21 50.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.304 1.042 . . . . 0.0 113.322 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -134.56 129.83 35.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.941 2.496 . . . . 0.0 110.15 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -112.82 126.54 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.106 1.362 . . . . 0.0 109.78 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.3 tp -106.67 119.39 39.18 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.468 1.507 . . . . 0.0 111.355 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.6 135.96 54.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.214 1.405 . . . . 0.0 110.41 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.28 -175.99 46.03 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -109.75 -35.31 6.22 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.379 1.472 . . . . 0.0 111.972 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 m -77.63 -34.25 53.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.704 1.201 . . . . 0.0 112.263 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.72 149.46 29.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.151 1.381 . . . . 0.0 111.648 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -136.87 155.48 49.72 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.666 1.586 . . . . 0.0 109.509 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.17 -169.35 40.32 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.782 1.473 . . . . 0.0 116.782 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -144.24 142.63 30.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.352 1.861 . . . . 0.0 111.692 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -137.83 155.5 48.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.927 0.891 . . . . 0.0 113.377 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.49 140.09 25.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.831 1.252 . . . . 0.0 110.684 -171.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -152.72 163.55 39.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.66 1.184 . . . . 0.0 111.612 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.05 124.22 51.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.076 1.751 . . . . 0.0 110.512 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 165.11 26.5 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.557 1.543 . . . . 0.0 111.752 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.07 -40.55 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -152.03 169.7 21.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.582 1.553 . . . . 0.0 110.881 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.4 35.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.483 1.913 . . . . 0.0 112.704 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.71 -37.76 65.06 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.892 1.277 . . . . 0.0 112.217 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 m -70.93 -43.6 67.88 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.645 -1.285 . . . . 0.0 112.262 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.48 89.94 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.794 -1.191 . . . . 0.0 113.014 171.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.311 0.645 . . . . 0.0 110.908 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -65.96 -45.69 80.85 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.169 0.895 . . . . 0.0 113.204 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.6 -49.16 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.33 -1.481 . . . . 0.0 111.528 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.53 -41.7 94.98 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -67.83 -27.29 66.58 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.295 -0.878 . . . . 0.0 112.657 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.95 -32.41 73.88 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 119.574 -1.954 . . . . 0.0 112.829 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -91.51 -13.46 32.1 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -138.49 22.89 2.73 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -58.06 -70.51 0.14 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.31 23.21 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.111 2.164 . . . . 0.0 112.951 -174.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -57.72 -38.54 75.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.789 0.836 . . . . 0.0 112.665 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.75 -35.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 116.603 1.401 . . . . 0.0 116.603 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.35 -46.34 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.802 1.301 . . . . 0.0 113.016 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.32 41.11 0.22 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.565 1.946 . . . . 0.0 113.831 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.38 174.84 38.74 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 116.491 1.356 . . . . 0.0 116.491 -169.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.05 115.07 17.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.129 1.371 . . . . 0.0 110.611 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -80.23 140.82 36.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.943 0.897 . . . . 0.0 111.712 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.97 152.2 47.49 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.633 1.973 . . . . 0.0 109.769 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -143.23 135.9 27.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.401 1.08 . . . . 0.0 112.401 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -118.1 101.57 8.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.006 2.122 . . . . 0.0 110.399 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.1 -33.45 76.05 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.03 13.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.98 1.312 . . . . 0.0 114.233 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -128.82 12.74 6.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 42.16 44.89 3.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.256 1.822 . . . . 0.0 114.441 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -130.95 139.21 50.01 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.92 0.867 . . . . 0.0 112.724 -172.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.91 145.77 30.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.868 2.867 . . . . 0.0 109.571 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 m -129.64 142.75 50.67 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.987 0.915 . . . . 0.0 109.824 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.11 131.02 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.474 1.509 . . . . 0.0 109.977 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.76 139.66 45.32 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.703 1.201 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 124.891 1.276 . . . . 0.0 111.852 177.22 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.05 132.84 43.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.785 0.834 . . . . 0.0 111.341 172.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.55 155.7 38.59 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.867 1.667 . . . . 0.0 111.345 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -134.72 150.8 50.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.573 1.149 . . . . 0.0 112.017 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -128.43 126.58 40.86 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.2 2.2 . . . . 0.0 109.813 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -107.84 122.18 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.565 1.546 . . . . 0.0 108.6 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.8 119.68 39.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.471 1.908 . . . . 0.0 109.876 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -118.43 133.02 56.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.086 0.955 . . . . 0.0 109.455 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.43 177.97 46.71 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -98.93 -26.16 14.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.382 1.873 . . . . 0.0 111.301 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -75.62 -43.42 48.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.925 1.29 . . . . 0.0 111.954 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -151.87 152.08 32.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -130.83 148.08 52.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.887 1.275 . . . . 0.0 109.503 169.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.8 -173.17 44.54 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 116.765 1.466 . . . . 0.0 116.765 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -146.35 141.21 27.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.301 1.84 . . . . 0.0 111.721 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -137.73 160.63 38.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 112.784 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -143.94 141.24 30.12 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.253 1.421 . . . . 0.0 111.427 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -142.71 166.32 24.99 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.094 2.157 . . . . 0.0 111.451 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.54 113.19 16.45 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.237 1.415 . . . . 0.0 110.429 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.69 163.44 24.28 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 111.621 -169.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.23 -39.28 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.349 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -154.98 167.99 28.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 109.748 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.04 15.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.877 2.071 . . . . 0.0 113.092 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.3 -33.23 55.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.785 1.234 . . . . 0.0 112.564 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -76.39 -40.2 51.6 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.654 -1.279 . . . . 0.0 111.708 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.57 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.692 -1.255 . . . . 0.0 112.231 169.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.46 -40.47 96.72 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.317 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.26 -47.83 80.76 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.727 0.694 . . . . 0.0 112.524 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.7 -52.12 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 120.517 -1.365 . . . . 0.0 111.786 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.23 -39.45 82.79 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.51 -20.44 59.98 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -71.82 -43.98 64.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.718 1.145 . . . . 0.0 111.822 170.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.09 -48.64 67.59 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.315 -0.866 . . . . 0.0 112.159 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -88.52 33.07 0.76 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.886 1.674 . . . . 0.0 114.006 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.68 69.15 0.16 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.569 2.748 . . . . 0.0 114.513 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 50.72 44.17 27.8 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.103 1.761 . . . . 0.0 113.855 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -61.99 -37.26 84.14 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.929 0.871 . . . . 0.0 110.974 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.83 -27.4 0.13 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.964 1.546 . . . . 0.0 116.964 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.51 -48.82 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 118.434 1.117 . . . . 0.0 112.849 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 33.49 44.51 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.279 2.231 . . . . 0.0 113.834 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.29 175.75 48.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -75.66 120.81 21.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.951 1.3 . . . . 0.0 109.681 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -88.35 142.49 27.69 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.651 0.781 . . . . 0.0 111.074 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -138.81 153.84 48.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.991 2.116 . . . . 0.0 109.486 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -146.84 137.69 23.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.42 1.464 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.13 112.25 19.92 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.954 2.102 . . . . 0.0 109.53 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.1 -34.57 64.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.501 0.72 . . . . 0.0 112.68 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.43 -10.3 4.71 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.708 1.603 . . . . 0.0 115.078 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -129.46 11.55 5.83 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.74 1.616 . . . . 0.0 114.201 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp 37.57 41.46 0.29 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.514 1.926 . . . . 0.0 114.736 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.26 140.28 52.65 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.311 -0.868 . . . . 0.0 112.135 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.74 145.66 40.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.676 2.39 . . . . 0.0 109.751 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.1 m -132.15 130.54 41.26 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.87 0.868 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.43 131.27 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.262 1.425 . . . . 0.0 109.702 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 95.2 m -134.73 132.53 38.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.035 0.934 . . . . 0.0 111.857 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.487 1.4 0 C-N-CA 124.809 1.243 . . . . 0.0 112.548 173.67 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.04 133.96 44.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.998 0.919 . . . . 0.0 111.368 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -125.02 158.28 34.11 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.918 1.687 . . . . 0.0 111.606 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.44 152.76 51.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.549 1.14 . . . . 0.0 113.093 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -131.47 111.94 12.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.817 2.447 . . . . 0.0 110.529 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -89.63 128.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 109.08 171.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.6 tp -113.73 119.77 38.53 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.467 1.507 . . . . 0.0 112.191 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -115.62 134.64 54.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.358 172.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.77 176.41 46.31 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -99.4 -41.12 7.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.973 1.709 . . . . 0.0 111.282 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 m -78.82 -35.42 44.13 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 112.36 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -151.81 149.97 29.61 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.044 1.337 . . . . 0.0 111.716 -176.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -134.05 160.26 38.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 110.034 172.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 -174.82 46.3 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -146.72 134.79 21.54 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.514 1.926 . . . . 0.0 110.701 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 p -137.81 159.14 42.81 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -141.65 142.8 33.39 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.939 1.296 . . . . 0.0 110.8 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -144.64 164.91 29.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.898 1.679 . . . . 0.0 110.023 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.91 124.04 43.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.059 1.343 . . . . 0.0 110.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.34 166.51 23.3 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.866 1.666 . . . . 0.0 111.645 -173.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.07 -40.04 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.436 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.82 168.27 24.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.37 1.468 . . . . 0.0 110.524 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -27.01 42.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.655 1.582 . . . . 0.0 112.822 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.3 62.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.018 1.327 . . . . 0.0 111.867 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -74.22 -42.49 59.67 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.726 -1.234 . . . . 0.0 111.944 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.45 84.1 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.655 -1.278 . . . . 0.0 113.151 171.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -63.61 -39.78 95.23 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.668 0.787 . . . . 0.0 111.138 169.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.53 -46.1 84.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.6 0.636 . . . . 0.0 112.46 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.79 -51.78 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.482 -1.386 . . . . 0.0 111.474 173.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.24 -40.18 93.08 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.18 -22.78 63.88 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -73.5 -42.08 62.28 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.359 1.436 . . . . 0.0 111.902 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -74.48 -21.2 59.69 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -128.59 33.08 4.72 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.69 -61.97 1.69 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -162.63 14.86 0.08 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.193 1.797 . . . . 0.0 114.704 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.59 -31.53 72.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.488 0.715 . . . . 0.0 112.524 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.44 -27.99 0.04 OUTLIER Glycine 0 CA--C 1.532 1.125 0 N-CA-C 116.787 1.475 . . . . 0.0 116.787 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.97 -62.16 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.461 1.131 . . . . 0.0 112.615 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 36.84 43.01 0.25 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.549 1.939 . . . . 0.0 114.525 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.8 -173.12 23.69 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.437 1.494 . . . . 0.0 115.836 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -86.38 123.13 31.27 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.897 1.679 . . . . 0.0 112.312 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -93.38 144.65 25.13 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.646 1.179 . . . . 0.0 113.626 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.9 152.89 48.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.431 2.292 . . . . 0.0 109.922 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -143.0 137.43 29.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.463 1.105 . . . . 0.0 112.838 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.08 104.31 10.73 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.871 2.069 . . . . 0.0 110.777 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.14 -37.58 80.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.198 1.399 . . . . 0.0 113.569 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -19.48 15.73 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.039 1.336 . . . . 0.0 114.585 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.96 12.77 6.23 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.787 2.035 . . . . 0.0 113.076 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 40.91 45.02 2.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.171 1.789 . . . . 0.0 114.41 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -131.06 138.05 49.42 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.758 0.789 . . . . 0.0 113.116 -172.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.39 145.75 29.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.655 2.782 . . . . 0.0 109.418 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -134.82 126.32 28.62 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.043 0.937 . . . . 0.0 111.081 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.82 133.28 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 111.76 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 m -134.98 111.9 10.18 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.488 1.43 0 C-N-CA 125.225 1.41 . . . . 0.0 113.325 175.349 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.01 131.57 42.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.773 0.829 . . . . 0.0 111.619 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.71 158.94 32.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.869 1.668 . . . . 0.0 112.128 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -134.36 155.24 50.61 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 112.527 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -133.25 125.43 29.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.13 2.172 . . . . 0.0 110.151 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -106.61 124.76 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.985 1.714 . . . . 0.0 108.467 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.3 tp -113.6 119.63 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 110.599 -171.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.95 115.38 23.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.885 1.274 . . . . 0.0 110.433 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.51 177.64 34.22 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.567 1.079 . . . . 0.0 114.969 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -101.32 -32.3 10.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.395 1.478 . . . . 0.0 112.243 -173.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.0 m -79.76 -41.69 26.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.042 0.937 . . . . 0.0 111.532 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -150.69 146.66 26.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.747 1.219 . . . . 0.0 112.068 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.99 155.7 48.68 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.121 1.768 . . . . 0.0 110.745 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.66 -171.85 44.29 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -145.21 139.7 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.669 1.988 . . . . 0.0 111.258 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -139.97 162.42 35.24 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.226 1.01 . . . . 0.0 113.073 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -143.95 140.89 29.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.092 1.357 . . . . 0.0 111.093 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.414 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 7.4 t -142.56 166.28 25.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.712 2.005 . . . . 0.0 111.358 -174.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -125.82 117.31 23.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.857 1.263 . . . . 0.0 110.838 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.43 165.15 23.22 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 125.581 1.553 . . . . 0.0 111.799 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.68 -38.9 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.183 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -155.61 168.69 26.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.559 1.543 . . . . 0.0 109.426 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -29.7 32.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 125.951 1.7 . . . . 0.0 112.771 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.17 64.87 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.093 -1.005 . . . . 0.0 112.171 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.1 m -75.15 -40.79 59.33 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.749 -1.219 . . . . 0.0 111.637 172.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.532 -1.355 . . . . 0.0 113.489 171.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.442 170.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.98 -49.47 74.57 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.243 0.474 . . . . 0.0 112.126 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.22 -52.77 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.228 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.7 m-85 -59.98 -38.01 81.32 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -68.31 -21.13 64.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.42 -47.67 54.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.593 1.542 . . . . 0.0 111.192 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -68.48 -28.9 67.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.101 1.36 . . . . 0.0 114.088 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -124.21 31.85 5.68 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.35 -61.04 2.61 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -163.31 15.73 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.909 1.684 . . . . 0.0 114.94 -172.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -64.44 -29.26 70.31 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.09 -24.1 0.05 OUTLIER Glycine 0 N--CA 1.472 1.052 0 N-CA-C 117.2 1.64 . . . . 0.0 117.2 171.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.77 -57.57 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.307 1.054 . . . . 0.0 112.433 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 35.74 41.14 0.1 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.171 2.189 . . . . 0.0 115.007 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.92 179.02 28.67 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.044 1.307 . . . . 0.0 115.014 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.6 136.53 42.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.942 1.297 . . . . 0.0 110.644 170.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -104.31 143.3 33.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.969 1.308 . . . . 0.0 112.056 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.97 155.65 47.86 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.648 1.979 . . . . 0.0 110.581 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -148.92 144.57 26.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.437 1.471 . . . . 0.0 112.721 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.93 114.83 23.79 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.778 2.031 . . . . 0.0 111.402 173.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.74 -11.69 58.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.386 -1.446 . . . . 0.0 114.661 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.49 -20.95 53.53 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.318 2.3 t -129.6 8.27 5.37 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 52.52 39.53 28.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.043 1.737 . . . . 0.0 113.909 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.63 139.71 52.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.706 1.202 . . . . 0.0 110.534 -172.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -108.36 145.52 34.38 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.237 2.215 . . . . 0.0 108.968 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 48.5 m -130.7 126.61 36.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.64 0.776 . . . . 0.0 110.03 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.43 127.98 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.605 1.162 . . . . 0.0 109.744 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -134.83 130.68 36.42 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.689 0.795 . . . . 0.0 113.063 -171.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 125.036 1.335 . . . . 0.0 112.04 169.866 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.13 133.93 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.176 0.99 . . . . 0.0 111.151 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.8 159.1 31.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.074 1.75 . . . . 0.0 111.462 170.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.22 152.55 51.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.678 1.191 . . . . 0.0 112.854 -174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.84 117.87 19.1 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.294 2.238 . . . . 0.0 110.533 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.1 122.47 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.054 1.341 . . . . 0.0 109.319 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 tp -103.29 119.45 38.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.334 1.454 . . . . 0.0 110.979 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.3 145.47 45.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 110.4 169.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.82 -166.68 39.37 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.988 0.804 . . . . 0.0 114.438 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -121.19 -24.74 5.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.996 2.118 . . . . 0.0 112.456 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 m -80.25 -38.0 31.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.408 1.083 . . . . 0.0 111.501 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -151.76 151.01 30.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.541 1.536 . . . . 0.0 111.63 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.41 156.35 48.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.864 1.666 . . . . 0.0 109.715 169.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.1 -168.24 38.47 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 116.638 1.415 . . . . 0.0 116.638 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -146.69 139.16 25.0 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.865 1.666 . . . . 0.0 111.731 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -134.69 161.4 35.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.203 1.001 . . . . 0.0 113.066 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.4 141.34 27.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.184 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.57 166.07 25.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.911 1.685 . . . . 0.0 110.691 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -121.36 123.75 42.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.002 1.721 . . . . 0.0 109.95 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.86 24.74 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.446 1.498 . . . . 0.0 111.137 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.45 -45.23 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.45 170.32 19.89 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.531 1.132 . . . . 0.0 113.152 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.33 8.49 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.709 2.003 . . . . 0.0 113.425 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -41.89 45.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.79 1.636 . . . . 0.0 111.511 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.3 m -71.45 -44.0 65.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.625 -1.297 . . . . 0.0 111.899 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.57 83.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.849 -1.157 . . . . 0.0 113.651 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.03 -32.17 64.92 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 118.728 -0.653 . . . . 0.0 112.545 170.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.39 -46.52 88.25 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.248 0.931 . . . . 0.0 110.926 172.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.54 -52.26 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.264 -0.897 . . . . 0.0 111.181 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.52 -36.96 77.12 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.84 -20.44 65.15 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.98 -43.17 68.61 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 119.825 -1.797 . . . . 0.0 113.287 172.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.03 -21.22 29.52 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.787 1.235 . . . . 0.0 113.912 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 113.67 14.18 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.599 1.56 . . . . 0.0 112.49 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.19 -155.84 0.08 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.257 2.223 . . . . 0.0 109.773 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.71 -9.09 0.19 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.411 2.285 . . . . 0.0 116.805 173.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -56.42 -35.92 68.36 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.228 0.611 . . . . 0.0 112.287 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.9 -6.13 0.03 OUTLIER Glycine 0 N--CA 1.473 1.129 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.57 61.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 123.33 1.538 . . . . 0.0 113.961 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.42 46.42 0.43 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.246 1.818 . . . . 0.0 109.196 169.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.21 -161.75 20.72 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 127.528 2.489 . . . . 0.0 115.832 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.95 148.74 45.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.198 1.399 . . . . 0.0 112.597 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -121.07 138.26 54.27 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.687 1.195 . . . . 0.0 113.328 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -138.85 151.37 46.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.728 1.611 . . . . 0.0 109.965 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -143.46 136.48 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.853 1.261 . . . . 0.0 112.08 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.0 103.9 10.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.011 2.124 . . . . 0.0 110.3 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.34 -31.34 71.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.29 38.4 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 t -128.94 12.68 6.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.828 2.051 . . . . 0.0 113.503 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt 41.42 43.8 2.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.047 1.739 . . . . 0.0 114.57 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -127.88 138.05 52.54 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.824 0.821 . . . . 0.0 112.775 -171.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.21 145.94 33.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.05 2.94 . . . . 0.0 109.49 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -125.63 143.17 51.14 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.756 0.822 . . . . 0.0 110.825 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.26 132.04 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.5 1.92 . . . . 0.0 110.29 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -134.72 139.1 44.94 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.712 1.205 . . . . 0.0 111.7 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.697 172.55 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.465 ' SD ' ' HE3' ' B' ' 50' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.74 133.53 43.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.491 0.716 . . . . 0.0 111.441 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -124.73 157.01 36.72 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.906 1.682 . . . . 0.0 111.759 171.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.36 151.62 51.78 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.831 1.252 . . . . 0.0 112.314 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.02 132.64 47.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.008 2.123 . . . . 0.0 109.855 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.89 125.7 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.664 1.586 . . . . 0.0 108.7 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.82 119.7 40.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.131 1.772 . . . . 0.0 109.899 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -119.87 131.12 55.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.468 1.107 . . . . 0.0 109.13 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.33 -175.08 44.28 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -171.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -110.93 -28.44 8.35 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 112.182 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.1 m -87.9 -34.86 18.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.238 1.015 . . . . 0.0 112.168 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.61 148.19 27.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.715 1.206 . . . . 0.0 112.737 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -134.92 154.37 51.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.915 1.286 . . . . 0.0 110.313 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.25 -169.94 40.65 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -145.28 142.6 29.61 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.065 1.746 . . . . 0.0 111.746 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.6 p -137.62 164.1 29.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.497 1.119 . . . . 0.0 112.903 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 143.21 28.82 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.278 1.431 . . . . 0.0 111.406 -173.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.06 166.31 26.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.445 1.898 . . . . 0.0 111.141 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -123.88 122.63 38.49 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.416 1.087 . . . . 0.0 111.166 170.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.87 165.4 23.94 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.372 1.869 . . . . 0.0 111.457 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.5 -40.04 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.342 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -153.97 169.46 23.42 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.663 1.585 . . . . 0.0 110.492 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.6 -33.07 31.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 126.76 2.024 . . . . 0.0 112.781 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.87 -31.87 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.217 1.007 . . . . 0.0 112.549 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -77.72 -41.27 38.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.911 -1.118 . . . . 0.0 111.46 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.73 92.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.538 -1.351 . . . . 0.0 113.267 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -61.89 -41.82 98.34 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.584 0.753 . . . . 0.0 111.005 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.8 -47.46 83.37 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.68 -50.94 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 120.357 1.435 . . . . 0.0 111.589 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.23 -38.5 83.61 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.19 -20.33 60.91 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 174.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.97 -39.85 72.3 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.409 1.459 . . . . 0.0 112.563 171.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.11 -45.13 58.72 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.247 -0.908 . . . . 0.0 112.773 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.42 29.56 5.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.01 -57.83 11.16 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -167.03 26.43 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.081 2.153 . . . . 0.0 113.31 -173.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -57.75 -38.16 74.88 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.309 0.644 . . . . 0.0 112.717 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.94 -28.08 0.12 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.44 1.495 . . . . 0.0 115.817 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.73 -48.73 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.114 1.457 . . . . 0.0 112.796 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.22 40.11 0.17 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.253 2.221 . . . . 0.0 114.865 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.52 178.25 41.18 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.963 1.268 . . . . 0.0 114.8 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.86 148.64 42.17 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.117 1.367 . . . . 0.0 111.611 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -118.21 139.36 51.4 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.622 1.569 . . . . 0.0 112.751 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -138.87 153.91 48.35 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.847 2.059 . . . . 0.0 109.858 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -144.59 142.54 30.24 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.104 1.362 . . . . 0.0 112.567 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -118.12 121.5 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.284 2.234 . . . . 0.0 111.316 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.6 -28.84 30.58 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.312 -0.868 . . . . 0.0 112.831 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.01 -17.2 64.53 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 36.8 p -128.97 1.94 5.3 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.687 -1.597 . . . . 0.0 114.458 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.465 ' HE3' ' SD ' ' B' ' 1' ' ' MET . 52.4 mmtt 50.06 36.1 11.35 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.492 1.517 . . . . 0.0 112.327 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.1 m -123.01 138.32 54.72 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.826 -169.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -113.24 145.53 40.86 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.549 2.339 . . . . 0.0 109.166 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -130.03 137.03 50.03 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.815 0.846 . . . . 0.0 109.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.9 126.23 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.888 1.675 . . . . 0.0 108.983 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 126.4 28.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 124.346 1.059 . . . . 0.0 111.966 169.905 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.74 135.13 35.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.032 0.933 . . . . 0.0 111.964 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 158.35 33.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.984 2.113 . . . . 0.0 111.646 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -131.14 155.29 47.26 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.524 1.13 . . . . 0.0 112.419 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.83 133.1 42.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.922 2.489 . . . . 0.0 110.387 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -115.24 126.28 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.253 1.421 . . . . 0.0 109.692 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -109.65 116.33 31.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.16 1.384 . . . . 0.0 111.594 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.06 112.46 19.16 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.479 1.912 . . . . 0.0 110.916 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 168.09 38.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.086 0.851 . . . . 0.0 114.806 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.48 -35.72 58.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.132 1.373 . . . . 0.0 113.072 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -83.15 -33.68 26.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.83 2.052 . . . . 0.0 114.123 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -151.96 147.72 26.89 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.037 1.335 . . . . 0.0 111.42 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -134.48 151.83 51.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.619 1.168 . . . . 0.0 109.329 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.17 -174.03 44.23 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 116.696 1.438 . . . . 0.0 116.696 -177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.71 131.9 19.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.518 1.927 . . . . 0.0 111.766 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -135.87 158.7 43.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.24 139.03 25.52 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.682 1.193 . . . . 0.0 111.265 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 t -143.27 159.93 41.43 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.354 1.861 . . . . 0.0 111.018 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -117.27 120.36 38.0 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.692 1.597 . . . . 0.0 110.298 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.32 167.15 21.86 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.494 1.518 . . . . 0.0 111.694 -172.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.4 -37.28 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.858 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -154.73 172.47 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.428 1.891 . . . . 0.0 111.699 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.69 -32.03 65.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.645 1.178 . . . . 0.0 113.263 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.68 64.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.493 1.117 . . . . 0.0 111.418 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.2 m -68.02 -45.14 74.85 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.016 -1.053 . . . . 0.0 112.063 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.62 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.864 -1.147 . . . . 0.0 113.188 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.21 -40.92 95.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.871 0.868 . . . . 0.0 110.746 170.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.58 -43.93 88.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.264 0.938 . . . . 0.0 112.959 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.61 -49.75 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.357 -1.464 . . . . 0.0 111.622 172.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.17 -44.09 95.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -64.95 -29.5 70.44 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 112.216 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.51 -33.98 73.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.095 1.316 . . . . 0.0 113.695 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -80.33 -20.98 42.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.253 46.9 m-85 -121.21 30.51 6.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.589 1.556 . . . . 0.0 115.08 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -63.12 49.15 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.771 3.228 . . . . 0.0 116.425 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 60.53 3.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.309 1.844 . . . . 0.0 114.222 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -65.33 -38.3 89.71 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.488 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.61 42.04 0.04 OUTLIER Glycine 0 N--CA 1.473 1.129 0 C-N-CA 125.361 1.458 . . . . 0.0 116.097 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.37 -52.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.804 1.302 . . . . 0.0 113.342 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 31.76 52.93 0.23 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.58 2.352 . . . . 0.0 115.395 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.06 168.76 36.73 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-O 121.791 0.662 . . . . 0.0 114.589 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.73 115.47 4.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.831 1.653 . . . . 0.0 110.814 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -80.03 137.01 36.71 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.78 0.8 . . . . 0.0 110.403 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 m -138.99 152.36 47.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.493 1.917 . . . . 0.0 109.571 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -143.9 140.24 29.63 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -118.01 120.93 39.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.452 2.701 . . . . 0.0 112.336 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.93 -31.45 31.3 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.149 1.78 . . . . 0.0 113.614 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.09 64.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.823 0.849 . . . . 0.0 112.541 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -128.61 -6.3 5.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.465 1.506 . . . . 0.0 113.695 -171.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 59.77 45.25 12.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.119 1.368 . . . . 0.0 111.98 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -122.26 136.59 54.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.987 -172.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -107.71 145.71 33.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.518 2.327 . . . . 0.0 110.105 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -129.56 146.24 51.39 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.949 0.9 . . . . 0.0 110.555 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -133.04 121.93 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.181 1.793 . . . . 0.0 109.069 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -134.94 139.06 44.64 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.846 1.258 . . . . 0.0 113.646 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-N 120.273 1.397 . . . . 0.0 111.589 172.284 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -77.43 132.64 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.056 0.942 . . . . 0.0 111.627 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.52 157.37 35.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.046 1.738 . . . . 0.0 111.616 173.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -135.5 152.24 51.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.748 1.219 . . . . 0.0 112.275 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.71 130.82 45.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.114 2.166 . . . . 0.0 110.757 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.0 mt -109.04 112.99 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.878 1.671 . . . . 0.0 108.617 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -93.84 119.67 33.09 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.377 1.871 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -118.29 141.41 48.55 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.79 0.836 . . . . 0.0 110.397 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.89 -174.55 46.76 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.473 1.035 . . . . 0.0 113.867 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -108.36 -34.51 6.78 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.467 1.507 . . . . 0.0 112.151 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.6 m -71.91 -43.57 65.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.782 0.833 . . . . 0.0 111.545 170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -146.68 145.94 30.19 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.376 1.07 . . . . 0.0 112.696 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -130.85 153.22 49.34 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.997 1.319 . . . . 0.0 110.52 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.46 -172.79 44.23 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -144.56 135.53 25.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.566 1.947 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 p -136.86 163.2 31.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.937 0.895 . . . . 0.0 113.057 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.25 141.68 27.61 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.18 1.392 . . . . 0.0 111.212 -172.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -144.34 166.32 25.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.669 1.988 . . . . 0.0 111.794 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.83 127.11 52.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.317 1.447 . . . . 0.0 109.061 172.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.44 163.46 30.42 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.435 1.494 . . . . 0.0 111.718 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.3 -36.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.835 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -155.27 169.67 23.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.858 1.663 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.25 -35.91 60.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.716 1.206 . . . . 0.0 112.719 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.78 70.9 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.894 -1.129 . . . . 0.0 111.759 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -67.89 -45.49 74.33 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.265 1.026 . . . . 0.0 111.708 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.61 97.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.678 -1.264 . . . . 0.0 113.425 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.66 -42.04 98.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.057 0.943 . . . . 0.0 110.983 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.68 -47.32 85.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 80.2 t -59.07 -51.17 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.622 1.101 . . . . 0.0 111.544 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.47 -38.25 83.63 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.297 -0.877 . . . . 0.0 113.328 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.81 -20.47 61.14 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.77 -42.26 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.578 1.081 . . . . 0.0 111.254 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.94 -42.43 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.115 . . . . 0.0 113.661 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -104.76 26.54 9.01 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.646 1.178 . . . . 0.0 114.136 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.91 -56.31 22.23 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -165.43 35.34 0.06 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.963 1.705 . . . . 0.0 112.62 -170.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.49 -25.26 60.37 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.185 0.993 . . . . 0.0 112.311 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.3 0.28 0.25 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 127.663 2.554 . . . . 0.0 115.219 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.86 35.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.095 2.158 . . . . 0.0 111.516 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.44 51.06 0.05 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.559 2.343 . . . . 0.0 112.209 169.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.4 -160.01 22.18 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.366 2.412 . . . . 0.0 114.183 -169.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.9 118.86 16.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.745 1.218 . . . . 0.0 111.26 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -95.74 142.94 27.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.471 1.108 . . . . 0.0 110.031 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m -138.78 153.47 48.43 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.39 1.876 . . . . 0.0 109.263 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -142.94 138.74 30.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.776 1.23 . . . . 0.0 111.378 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.96 110.91 18.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.228 1.811 . . . . 0.0 109.063 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.5 -34.77 67.88 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.618 0.767 . . . . 0.0 112.091 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -9.81 12.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 12.52 5.93 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.754 1.222 . . . . 0.0 113.308 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 39.21 43.39 0.87 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.469 1.907 . . . . 0.0 115.366 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 91.0 m -131.01 140.04 50.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.403 -0.811 . . . . 0.0 112.934 -171.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.82 145.75 37.63 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.326 2.65 . . . . 0.0 110.455 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 53.6 m -128.65 141.44 51.34 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.7 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.49 136.41 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.768 0.827 . . . . 0.0 111.022 170.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 m -134.91 139.63 45.13 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.7 1.2 . . . . 0.0 110.958 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.486 1.337 0 C-N-CA 124.458 1.103 . . . . 0.0 112.466 172.177 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.47 136.25 44.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -124.93 158.2 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.176 1.79 . . . . 0.0 111.141 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -132.87 154.85 49.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.689 1.196 . . . . 0.0 112.514 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -132.68 129.98 39.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.406 2.682 . . . . 0.0 109.956 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.01 123.57 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.346 1.458 . . . . 0.0 109.605 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.7 tp -105.41 117.32 33.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.871 1.269 . . . . 0.0 111.317 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -120.13 116.18 25.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.29 1.836 . . . . 0.0 110.409 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.31 168.54 40.97 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.083 0.849 . . . . 0.0 114.557 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -79.27 -37.13 38.61 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.9 p -84.44 -29.36 26.17 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.69 145.69 25.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.474 1.51 . . . . 0.0 111.632 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.61 155.05 51.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.315 1.446 . . . . 0.0 109.812 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.07 -165.03 35.72 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -143.8 144.05 31.62 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.593 1.557 . . . . 0.0 112.425 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -138.26 158.46 44.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.438 1.095 . . . . 0.0 113.39 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -143.64 140.22 30.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.097 1.359 . . . . 0.0 110.853 -171.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.4 t -145.51 166.05 26.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.759 1.624 . . . . 0.0 110.551 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -118.99 126.82 52.64 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.28 1.432 . . . . 0.0 110.774 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 168.7 18.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.598 1.559 . . . . 0.0 111.666 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.85 -40.47 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.351 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -152.54 173.01 15.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.412 1.485 . . . . 0.0 112.725 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.7 63.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.959 1.303 . . . . 0.0 113.813 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.78 59.75 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 120.099 1.318 . . . . 0.0 111.36 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m -67.77 -46.0 73.28 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.797 -1.19 . . . . 0.0 112.117 170.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.58 83.3 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.407 -1.433 . . . . 0.0 113.654 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.44 -40.07 95.02 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.217 0.607 . . . . 0.0 111.314 170.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.72 -46.39 82.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.664 -0.647 . . . . 0.0 112.142 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.31 -50.46 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.193 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -59.87 -36.71 77.49 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.14 -25.29 66.1 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 171.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -60.29 -35.87 76.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 119.311 -2.118 . . . . 0.0 112.568 172.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.67 -22.12 20.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.356 1.462 . . . . 0.0 114.46 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -132.92 22.45 4.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.41 -38.61 74.62 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.503 -1.373 . . . . 0.0 113.565 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.83 -68.41 0.08 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.213 1.805 . . . . 0.0 110.707 169.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 44.48 -66.49 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.186 3.794 . . . . 0.0 116.541 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.84 8.57 1.77 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.91 1.243 . . . . 0.0 116.09 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.2 -43.85 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.082 1.441 . . . . 0.0 113.01 -171.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.19 43.03 1.3 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.039 1.735 . . . . 0.0 114.899 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.55 173.92 48.08 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 115.905 1.122 . . . . 0.0 115.905 -170.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 123.3 27.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.38 1.872 . . . . 0.0 111.465 172.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -84.19 144.73 28.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.486 1.115 . . . . 0.0 113.36 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -138.94 153.37 48.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.234 1.813 . . . . 0.0 109.821 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -144.23 136.15 26.17 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.508 1.123 . . . . 0.0 112.911 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.13 102.18 8.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.055 2.142 . . . . 0.0 111.215 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.96 -29.27 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -18.18 12.56 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -128.83 -0.44 5.37 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.104 1.762 . . . . 0.0 114.138 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 52.2 48.86 21.8 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.303 -1.498 . . . . 0.0 113.414 -171.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 m -129.7 139.49 51.34 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.802 0.811 . . . . 0.0 112.998 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -108.82 145.92 34.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.262 3.025 . . . . 0.0 109.845 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -126.11 147.2 49.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.973 0.909 . . . . 0.0 110.22 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -132.97 123.65 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.241 1.817 . . . . 0.0 108.988 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -134.99 139.88 45.23 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.969 1.308 . . . . 0.0 114.087 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.482 1.152 0 CA-C-N 119.646 1.112 . . . . 0.0 110.523 169.842 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -73.09 131.04 41.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.73 0.812 . . . . 0.0 111.631 174.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.53 158.84 31.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.055 1.742 . . . . 0.0 111.882 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.39 154.7 51.22 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.643 1.177 . . . . 0.0 112.547 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.05 132.44 44.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.635 2.374 . . . . 0.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -114.68 125.83 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.648 1.579 . . . . 0.0 108.49 172.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 65.2 tp -111.0 119.73 40.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.878 1.671 . . . . 0.0 110.245 -175.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -119.57 131.93 55.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.16 0.984 . . . . 0.0 109.282 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -179.74 45.12 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -102.19 -31.43 10.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.859 1.264 . . . . 0.0 112.61 -170.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -76.33 -40.04 52.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.68 1.192 . . . . 0.0 112.499 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.51 146.21 25.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 0.0 112.631 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.73 154.21 48.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.532 1.533 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.51 -174.33 43.84 Favored Glycine 0 N--CA 1.472 1.088 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -147.97 133.45 18.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.957 2.103 . . . . 0.0 110.796 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -141.4 163.76 32.06 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.333 1.053 . . . . 0.0 113.14 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -146.4 142.07 27.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 -170.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -142.57 166.23 25.23 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.928 2.091 . . . . 0.0 111.717 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -127.1 112.35 15.08 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.311 1.445 . . . . 0.0 110.75 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.06 166.14 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 125.764 1.626 . . . . 0.0 111.714 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.85 -40.56 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.375 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -156.16 173.39 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.45 1.5 . . . . 0.0 110.26 174.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -28.19 36.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.367 1.867 . . . . 0.0 113.244 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.85 56.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.558 1.143 . . . . 0.0 112.168 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 58.0 m -75.5 -40.51 57.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.909 -1.12 . . . . 0.0 111.341 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.02 84.96 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.736 -1.228 . . . . 0.0 113.242 170.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -39.76 95.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.636 0.774 . . . . 0.0 111.528 170.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.02 -45.98 86.49 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.695 -0.628 . . . . 0.0 112.637 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.51 -53.97 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 120.803 -1.186 . . . . 0.0 111.024 173.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -58.49 -37.75 76.19 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -67.86 -27.74 66.94 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.204 -0.935 . . . . 0.0 113.189 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -36.41 83.58 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 119.987 -1.696 . . . . 0.0 112.409 172.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -89.78 -17.54 28.01 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.47 10.89 3.22 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 118.443 2.757 . . . . 0.0 118.443 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -70.96 -54.89 9.68 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -153.12 10.49 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -63.13 -32.46 73.85 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.6 -0.688 . . . . 0.0 111.969 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.106 1.602 . . . . 0.0 117.106 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.24 -58.19 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.157 1.479 . . . . 0.0 112.575 -174.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 36.15 41.93 0.15 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.597 1.959 . . . . 0.0 114.679 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 -176.87 28.66 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.089 1.328 . . . . 0.0 114.725 -169.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.39 122.04 21.43 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.437 1.095 . . . . 0.0 110.191 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -94.86 139.58 31.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.358 1.063 . . . . 0.0 111.027 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.1 m -138.84 154.32 48.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.72 2.008 . . . . 0.0 109.391 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -142.85 137.97 29.97 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.766 -1.208 . . . . 0.0 111.734 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.07 112.88 20.8 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.713 2.005 . . . . 0.0 109.47 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.25 -32.98 59.17 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.582 0.753 . . . . 0.0 112.453 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.26 -10.01 9.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -129.47 12.29 5.91 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 114.407 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt 39.76 40.39 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.964 1.706 . . . . 0.0 115.006 -172.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.9 m -126.24 135.53 51.68 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.532 -0.73 . . . . 0.0 112.199 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -102.34 145.55 29.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.954 2.102 . . . . 0.0 109.281 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -127.33 139.45 52.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.134 0.973 . . . . 0.0 109.756 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.06 132.83 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.502 1.121 . . . . 0.0 109.676 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.68 133.13 39.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.908 0.883 . . . . 0.0 112.2 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 127.939 2.496 . . . . 0.0 111.307 -176.65 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -73.08 132.72 43.67 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.854 0.862 . . . . 0.0 111.161 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.95 158.68 33.01 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.134 1.774 . . . . 0.0 111.697 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -132.29 155.26 48.66 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.016 1.326 . . . . 0.0 113.025 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.05 129.29 35.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.883 2.473 . . . . 0.0 110.938 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.22 116.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.568 1.547 . . . . 0.0 109.619 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.1 tp -98.12 118.04 33.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.098 1.359 . . . . 0.0 111.305 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.19 135.27 55.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.724 1.61 . . . . 0.0 109.97 169.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.71 177.52 48.47 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.11 -10.45 47.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.72 1.608 . . . . 0.0 113.26 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.9 m -129.68 -25.91 2.54 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.543 1.537 . . . . 0.0 113.004 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -151.75 141.6 21.97 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.892 1.277 . . . . 0.0 110.704 173.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.81 148.91 50.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.065 1.346 . . . . 0.0 110.167 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.52 -170.41 43.03 Favored Glycine 0 N--CA 1.475 1.297 0 N-CA-C 117.207 1.643 . . . . 0.0 117.207 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -144.1 126.73 16.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.358 1.863 . . . . 0.0 111.955 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -134.41 160.93 36.46 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -146.31 141.24 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.002 1.321 . . . . 0.0 111.253 -170.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -141.96 164.44 30.16 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.238 1.815 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -120.19 117.93 29.18 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.101 1.76 . . . . 0.0 109.681 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.38 160.35 39.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.511 1.525 . . . . 0.0 111.749 -169.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -152.71 171.42 18.24 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.06 1.744 . . . . 0.0 111.805 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -31.09 62.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.656 1.182 . . . . 0.0 113.235 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.94 -36.9 62.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.666 1.186 . . . . 0.0 111.456 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 m -67.11 -45.38 77.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 120.736 -1.228 . . . . 0.0 111.977 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.31 91.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.895 -1.128 . . . . 0.0 113.067 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.4 -40.08 93.06 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.127 0.971 . . . . 0.0 111.062 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.08 -44.58 79.7 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.87 -47.64 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 120.322 -1.486 . . . . 0.0 111.56 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.47 -41.45 94.19 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.431 -0.793 . . . . 0.0 111.763 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.79 -35.47 78.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 119.598 -1.939 . . . . 0.0 112.892 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.23 -21.56 33.36 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.52 19.61 2.91 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.58 -34.26 53.67 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 119.819 -1.801 . . . . 0.0 114.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -161.53 5.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -169.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -64.38 -31.63 72.91 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 121.129 -0.982 . . . . 0.0 111.991 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -39.34 0.04 OUTLIER Glycine 0 N--CA 1.473 1.134 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.36 -47.59 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.166 0.983 . . . . 0.0 112.993 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 37.45 43.49 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.229 1.812 . . . . 0.0 113.749 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.57 176.98 41.89 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.802 1.192 . . . . 0.0 115.926 -169.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.12 117.74 19.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.953 1.701 . . . . 0.0 110.907 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -80.26 143.64 33.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.365 1.066 . . . . 0.0 112.236 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -139.01 153.97 48.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.385 1.874 . . . . 0.0 109.817 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -143.93 137.86 28.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.504 1.122 . . . . 0.0 112.799 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.96 104.29 10.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.198 2.199 . . . . 0.0 110.477 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.16 -26.75 65.02 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 113.482 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -27.55 39.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.274 1.429 . . . . 0.0 113.445 172.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -128.76 9.25 5.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 112.709 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt 38.8 43.07 0.69 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.781 2.032 . . . . 0.0 114.07 -170.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -127.43 134.71 49.85 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.098 0.952 . . . . 0.0 112.466 -171.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -103.65 145.89 29.39 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.919 2.888 . . . . 0.0 110.069 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -126.28 145.5 50.39 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.696 0.798 . . . . 0.0 109.883 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.76 125.67 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.223 1.409 . . . . 0.0 109.292 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -134.96 139.85 45.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.022 1.329 . . . . 0.0 113.715 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 124.348 1.059 . . . . 0.0 111.03 169.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HE2' ' B' ' 50' ' ' LYS . 51.6 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -76.96 129.44 36.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.504 0.722 . . . . 0.0 111.531 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.51 159.34 30.79 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.881 1.672 . . . . 0.0 111.925 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -135.52 153.54 51.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.89 1.276 . . . . 0.0 112.642 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -132.54 122.1 24.3 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.027 2.131 . . . . 0.0 111.129 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -101.28 115.7 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.273 1.429 . . . . 0.0 108.853 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.4 tp -99.65 119.17 37.66 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.774 1.63 . . . . 0.0 109.578 -175.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.19 111.14 17.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.683 0.793 . . . . 0.0 110.776 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.16 172.88 33.45 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.044 0.83 . . . . 0.0 114.97 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.08 -38.57 22.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.536 1.134 . . . . 0.0 112.876 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -79.68 -35.59 38.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.789 0.835 . . . . 0.0 112.691 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.95 146.17 28.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.126 0.971 . . . . 0.0 113.424 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mttp -130.98 151.0 51.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.894 1.277 . . . . 0.0 110.231 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.86 -172.3 43.16 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -141.68 133.57 27.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.945 1.698 . . . . 0.0 111.314 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.3 p -136.83 165.06 26.84 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.032 0.933 . . . . 0.0 112.867 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.04 146.26 30.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.59 1.556 . . . . 0.0 111.044 -171.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -144.54 165.97 26.49 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.838 1.655 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -128.37 109.88 11.84 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.883 1.273 . . . . 0.0 110.174 174.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.88 167.38 19.05 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.475 1.51 . . . . 0.0 111.786 -169.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -69.95 -34.75 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.943 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -154.16 168.2 27.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.69 1.596 . . . . 0.0 110.528 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.16 50.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.044 1.738 . . . . 0.0 112.628 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.43 66.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 112.661 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -71.89 -43.26 65.67 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.31 -0.869 . . . . 0.0 111.349 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.01 97.71 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.983 -1.073 . . . . 0.0 113.017 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.67 -43.1 94.09 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.415 1.086 . . . . 0.0 111.14 172.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.94 -48.38 82.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -57.66 -50.23 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 119.355 0.98 . . . . 0.0 111.604 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.7 -39.99 90.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.14 -0.975 . . . . 0.0 112.985 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -20.34 61.29 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -69.03 -43.21 75.19 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.625 1.102 . . . . 0.0 111.906 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.43 -37.87 42.73 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -111.78 24.97 12.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.63 -49.19 65.64 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -160.53 32.29 0.16 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.13 1.772 . . . . 0.0 112.925 -171.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.47 -26.17 46.02 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 122.07 0.938 . . . . 0.0 112.35 -174.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.13 -38.91 0.18 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.959 2.695 . . . . 0.0 111.709 176.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.02 38.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.66 2.384 . . . . 0.0 115.794 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.86 -5.97 10.72 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.921 1.688 . . . . 0.0 111.978 169.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.74 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.54 1.643 0 C-N-CA 130.407 3.861 . . . . 0.0 117.981 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.5 115.61 24.1 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.92 1.688 . . . . 0.0 111.737 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -88.09 143.09 27.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.398 1.079 . . . . 0.0 110.953 171.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -138.92 156.08 47.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.09 2.156 . . . . 0.0 110.048 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -143.17 141.72 31.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.035 1.334 . . . . 0.0 112.701 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.12 124.21 47.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.208 2.203 . . . . 0.0 111.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.58 -32.2 28.6 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.57 -17.39 63.91 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.823 -1.173 . . . . 0.0 114.067 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.2 1.91 5.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 112.978 -1.919 . . . . 0.0 113.997 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HE2' ' SD ' ' B' ' 1' ' ' MET . 47.6 mmtm 50.12 33.44 7.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.462 1.505 . . . . 0.0 112.385 175.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 75.4 m -121.54 135.27 55.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.383 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.05 145.58 30.29 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.917 2.087 . . . . 0.0 109.387 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 70.3 m -129.93 142.59 50.63 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 0.0 109.349 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.24 135.35 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.276 0.631 . . . . 0.0 111.278 170.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.1 m -134.69 135.88 42.34 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.445 1.098 . . . . 0.0 111.625 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.004 1.322 . . . . 0.0 111.622 169.92 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.517 0.199 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.14 132.38 43.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 0.0 110.573 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -124.93 155.59 39.33 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.583 1.553 . . . . 0.0 111.203 170.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -132.98 155.37 49.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.088 0.955 . . . . 0.0 113.227 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -134.52 130.27 36.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.347 2.259 . . . . 0.0 109.924 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.0 mt -110.73 130.44 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.104 1.761 . . . . 0.0 108.715 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 tp -113.59 119.49 37.66 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.667 1.587 . . . . 0.0 112.181 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.32 133.2 56.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.281 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.25 174.88 43.7 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.722 1.153 . . . . 0.0 115.047 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -88.74 -37.97 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.858 1.263 . . . . 0.0 113.425 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -100.69 -20.04 15.79 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.444 1.498 . . . . 0.0 113.844 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.69 144.97 24.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.334 1.454 . . . . 0.0 112.172 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -140.62 159.05 43.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.618 1.967 . . . . 0.0 109.853 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.04 -169.87 42.91 Favored Glycine 0 N--CA 1.474 1.19 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.22 146.63 30.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.197 1.799 . . . . 0.0 112.156 173.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -141.01 161.09 38.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.374 1.07 . . . . 0.0 113.543 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.88 144.18 33.7 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.366 1.467 . . . . 0.0 110.69 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.444 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.2 t -146.17 159.78 42.85 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.535 1.534 . . . . 0.0 110.067 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.41 120.57 40.76 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.306 1.442 . . . . 0.0 109.906 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 164.21 28.63 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.577 1.551 . . . . 0.0 111.268 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.03 -38.28 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.399 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -153.53 171.47 18.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.182 1.793 . . . . 0.0 112.063 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.81 59.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.693 1.197 . . . . 0.0 113.395 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -36.18 59.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.558 1.143 . . . . 0.0 111.301 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -69.61 -44.43 70.71 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.807 -1.183 . . . . 0.0 111.78 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.16 84.77 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.628 -1.295 . . . . 0.0 113.437 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.34 -39.43 93.06 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.65 0.78 . . . . 0.0 110.732 170.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -68.12 -43.3 78.71 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.972 0.805 . . . . 0.0 113.108 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.08 -1.637 . . . . 0.0 111.368 172.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.4 m-85 -60.0 -42.26 93.87 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.539 -0.726 . . . . 0.0 112.893 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.28 -26.21 67.23 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.437 -0.789 . . . . 0.0 112.737 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.17 -37.4 72.19 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.682 1.583 . . . . 0.0 112.953 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.26 -18.93 54.68 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -133.23 24.37 4.16 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -170.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -64.74 -67.75 0.41 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.19 16.18 0.34 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.58 1.552 . . . . 0.0 114.505 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -58.73 -35.58 72.92 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.203 0.601 . . . . 0.0 112.279 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.27 -30.19 0.03 OUTLIER Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.658 1.423 . . . . 0.0 116.658 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.52 -56.03 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.587 1.194 . . . . 0.0 112.934 -173.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 36.68 47.88 0.59 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.62 -174.98 19.94 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.173 1.368 . . . . 0.0 115.679 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -90.98 118.11 30.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.131 2.173 . . . . 0.0 112.078 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -85.71 143.9 28.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.975 1.31 . . . . 0.0 113.341 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -138.9 154.52 48.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.62 1.968 . . . . 0.0 109.564 174.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -142.62 142.01 32.03 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.964 1.257 . . . . 0.0 112.89 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -117.85 114.06 22.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.749 2.019 . . . . 0.0 112.197 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.19 -11.12 59.5 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.01 53.77 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -128.94 9.2 5.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.668 1.987 . . . . 0.0 114.512 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt 55.47 46.38 23.26 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.904 1.682 . . . . 0.0 113.526 172.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.3 m -133.9 142.75 47.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.077 0.951 . . . . 0.0 112.105 -170.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -108.46 145.84 34.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.575 2.75 . . . . 0.0 109.62 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -135.49 114.87 12.52 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.673 0.789 . . . . 0.0 111.23 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.55 131.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.822 1.249 . . . . 0.0 110.744 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -134.88 139.86 45.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.228 1.411 . . . . 0.0 112.257 -172.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.124 0.97 . . . . 0.0 111.546 171.785 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.68 130.91 40.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.815 0.846 . . . . 0.0 112.044 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.66 158.72 32.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 112.052 170.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -135.48 155.22 50.87 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.708 1.203 . . . . 0.0 112.96 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -133.38 133.71 42.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.315 2.246 . . . . 0.0 110.374 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 42.8 mt -114.45 126.39 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.74 1.616 . . . . 0.0 108.478 171.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 tt -113.56 119.36 37.23 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.711 1.604 . . . . 0.0 108.921 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -120.19 111.12 17.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.628 0.771 . . . . 0.0 109.915 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.99 172.03 21.87 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.377 1.465 . . . . 0.0 114.609 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.56 -26.69 65.54 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 18.5 p -126.01 -19.89 4.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 114.031 -173.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -143.27 142.74 31.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.907 1.683 . . . . 0.0 110.683 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -136.23 151.1 49.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.831 1.252 . . . . 0.0 111.523 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.82 -174.83 46.08 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 115.675 1.03 . . . . 0.0 115.675 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -145.77 138.33 25.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.461 1.905 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -137.96 163.34 31.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.008 0.923 . . . . 0.0 112.741 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -142.06 142.14 32.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.434 1.494 . . . . 0.0 110.439 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 12.3 t -137.13 164.31 28.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.154 1.782 . . . . 0.0 111.321 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.25 109.87 11.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.195 1.398 . . . . 0.0 109.897 171.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.89 168.5 17.75 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.368 1.467 . . . . 0.0 111.389 -170.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.47 -36.41 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.596 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -154.9 169.57 23.71 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.533 1.533 . . . . 0.0 110.325 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.23 -34.31 31.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.856 2.062 . . . . 0.0 112.838 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.29 65.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.614 1.166 . . . . 0.0 112.316 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -73.24 -42.68 62.28 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.901 -1.125 . . . . 0.0 111.701 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.06 97.88 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.814 -1.179 . . . . 0.0 113.051 171.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.38 -41.27 93.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 111.164 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.13 -51.5 67.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.671 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.93 -46.84 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 120.645 1.566 . . . . 0.0 111.275 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.93 -39.15 91.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -71.41 -25.71 62.45 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -71.6 -45.52 61.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.72 1.208 . . . . 0.0 112.019 170.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.72 -45.54 74.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.25 37.01 3.31 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.38 -54.21 49.38 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -166.47 32.37 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.991 1.717 . . . . 0.0 112.9 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -64.69 -33.25 75.5 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.098 -1.001 . . . . 0.0 111.609 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.98 23.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.152 1.834 . . . . 0.0 115.417 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.92 36.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.897 1.679 . . . . 0.0 111.314 -172.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -67.23 39.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.968 2.507 . . . . 0.0 113.71 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.47 -167.94 43.69 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.558 2.028 . . . . 0.0 115.081 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.02 124.68 24.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.84 1.256 . . . . 0.0 111.247 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -90.56 144.56 25.66 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.087 0.955 . . . . 0.0 111.645 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 29.0 m -138.88 153.84 48.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.041 2.136 . . . . 0.0 109.118 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -144.32 136.12 26.0 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.78 1.173 . . . . 0.0 111.794 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.08 107.37 13.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.558 1.943 . . . . 0.0 110.512 173.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.91 -27.03 63.49 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.068 0.947 . . . . 0.0 113.46 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -16.67 11.96 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.457 1.903 . . . . 0.0 114.609 171.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.1 p -129.05 0.96 5.25 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.53 1.932 . . . . 0.0 113.778 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt 41.37 36.14 0.49 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.862 1.665 . . . . 0.0 113.865 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -120.5 133.92 55.34 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.204 0.526 . . . . 0.0 111.573 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -102.31 145.51 29.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.477 2.311 . . . . 0.0 108.886 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 69.5 m -128.26 140.78 51.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.15 0.98 . . . . 0.0 110.092 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.7 t -127.21 130.82 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.924 1.289 . . . . 0.0 109.787 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -134.71 122.49 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.743 0.817 . . . . 0.0 112.461 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 128.526 2.73 . . . . 0.0 109.656 -179.25 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.04 132.63 43.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.19 0.996 . . . . 0.0 111.095 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -124.87 160.17 29.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 111.701 170.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.9 155.31 50.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 112.832 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.25 135.82 43.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.495 2.718 . . . . 0.0 110.472 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -118.26 129.1 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.64 1.576 . . . . 0.0 109.697 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.3 tp -109.27 119.36 39.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.679 1.591 . . . . 0.0 111.346 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -120.01 133.54 55.51 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.697 1.599 . . . . 0.0 110.329 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.22 171.02 39.59 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.632 1.111 . . . . 0.0 114.321 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.4 -36.09 46.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.728 1.211 . . . . 0.0 113.809 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 p -94.71 -25.44 16.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.75 1.22 . . . . 0.0 114.164 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -151.75 149.2 28.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.141 1.376 . . . . 0.0 111.869 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.19 159.06 42.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.59 1.556 . . . . 0.0 108.935 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.26 -174.2 44.29 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 116.999 1.559 . . . . 0.0 116.999 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -146.78 132.22 18.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.707 2.003 . . . . 0.0 111.527 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -135.97 160.21 39.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.92 142.31 29.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.923 1.289 . . . . 0.0 110.765 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 t -146.32 160.95 41.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.703 1.601 . . . . 0.0 110.375 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.77 125.62 54.19 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.318 1.447 . . . . 0.0 109.852 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.25 166.62 23.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.269 1.427 . . . . 0.0 111.542 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -64.14 -44.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.617 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -150.06 168.79 22.86 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.76 1.624 . . . . 0.0 111.673 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.13 -28.92 11.99 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 126.859 2.063 . . . . 0.0 113.108 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.65 43.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.006 1.322 . . . . 0.0 112.084 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -69.95 -42.69 72.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.295 -1.503 . . . . 0.0 111.914 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.88 86.23 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.842 -1.161 . . . . 0.0 113.001 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -62.94 -39.58 95.03 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.297 0.639 . . . . 0.0 110.825 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.17 -45.31 77.37 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.13 0.877 . . . . 0.0 113.147 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.2 -50.03 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 120.355 -1.465 . . . . 0.0 111.114 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.2 m-85 -59.4 -41.68 90.0 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 177.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -68.97 -20.55 64.18 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -72.95 -47.46 45.28 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.563 -1.336 . . . . 0.0 113.1 170.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -67.4 -34.01 76.37 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 119.252 0.933 . . . . 0.0 112.729 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.25 65.0 m-85 -113.94 32.78 5.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.699 1.6 . . . . 0.0 114.304 -171.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -56.26 -44.18 79.45 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.668 1.187 . . . . 0.0 114.134 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -156.01 -61.13 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.287 1.435 . . . . 0.0 112.175 169.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 49.74 30.31 3.67 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 125.701 1.6 . . . . 0.0 114.093 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.71 21.63 58.44 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.608 1.575 . . . . 0.0 115.201 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -119.38 -36.31 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.018 1.727 . . . . 0.0 111.421 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 33.6 44.63 0.08 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 128.108 2.563 . . . . 0.0 116.756 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.51 45.17 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.2 116.74 7.6 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 0.0 110.771 169.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -80.03 139.51 36.92 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.794 0.807 . . . . 0.0 111.08 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 m -138.9 152.45 47.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.657 1.983 . . . . 0.0 109.344 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -144.6 137.13 26.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -118.08 101.33 8.16 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.096 2.158 . . . . 0.0 110.879 172.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.71 -41.07 76.77 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.248 1.419 . . . . 0.0 113.775 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -19.15 28.48 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.3 1.44 . . . . 0.0 114.849 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.72 12.8 6.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.691 1.996 . . . . 0.0 112.638 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 46.49 40.83 8.72 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.474 1.91 . . . . 0.0 113.62 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 m -125.63 134.76 51.77 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -101.83 145.95 28.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.407 3.083 . . . . 0.0 110.168 173.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.3 m -128.98 146.25 51.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.863 0.865 . . . . 0.0 110.366 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.99 124.67 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 109.752 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -135.02 139.87 45.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.679 1.592 . . . . 0.0 113.355 -176.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-N 120.186 1.357 . . . . 0.0 111.496 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -74.54 128.78 36.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.538 0.735 . . . . 0.0 111.13 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.64 158.5 32.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.675 1.59 . . . . 0.0 111.782 172.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -135.47 155.36 50.66 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.736 1.215 . . . . 0.0 112.768 -175.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -132.58 111.09 10.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.567 2.347 . . . . 0.0 110.534 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -88.35 128.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 109.406 171.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.7 119.75 40.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.418 1.887 . . . . 0.0 110.663 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.96 134.85 54.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.412 1.085 . . . . 0.0 110.256 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.15 -177.26 40.3 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.203 1.382 . . . . 0.0 114.306 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.3 4.53 26.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.8 1.64 . . . . 0.0 113.715 -171.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.3 m -132.89 -42.84 0.9 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.76 1.624 . . . . 0.0 111.472 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.27 145.44 34.03 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.25 1.42 . . . . 0.0 110.628 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -137.16 156.98 47.68 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 111.33 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.51 -169.69 42.8 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.85 138.23 26.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.969 2.107 . . . . 0.0 111.124 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.5 p -135.34 157.95 45.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.036 0.935 . . . . 0.0 112.318 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 141.41 29.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.895 1.278 . . . . 0.0 111.32 -169.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.99 166.19 25.38 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.302 1.841 . . . . 0.0 111.485 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -129.26 110.13 11.71 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.202 1.401 . . . . 0.0 110.007 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.73 17.01 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.694 1.598 . . . . 0.0 111.246 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.16 -39.27 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.764 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -150.82 169.03 22.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.487 1.515 . . . . 0.0 110.443 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.49 21.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.038 2.135 . . . . 0.0 113.012 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.84 55.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.824 1.249 . . . . 0.0 112.841 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -76.76 -42.43 40.96 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.872 -1.143 . . . . 0.0 111.058 172.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.12 91.1 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.014 -1.054 . . . . 0.0 112.698 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -60.12 -39.64 86.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.038 0.935 . . . . 0.0 111.511 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.68 -43.22 89.93 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.57 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.324 -1.485 . . . . 0.0 111.509 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.33 -41.13 92.93 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.367 -0.833 . . . . 0.0 112.873 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -71.24 -20.53 62.23 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.93 -47.42 52.59 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.1 -1.0 . . . . 0.0 112.672 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -69.98 -39.57 75.88 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.569 1.077 . . . . 0.0 112.794 174.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -103.43 31.28 4.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.724 1.61 . . . . 0.0 113.341 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -54.88 -34.04 62.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.471 1.508 . . . . 0.0 114.873 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -159.6 -71.54 0.08 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.958 1.303 . . . . 0.0 112.619 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 45.51 23.62 0.14 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.196 2.198 . . . . 0.0 115.453 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.47 10.44 17.01 Favored Glycine 0 CA--C 1.546 1.972 0 C-N-CA 126.965 2.221 . . . . 0.0 114.649 -169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -81.09 -51.64 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.04 1.736 . . . . 0.0 109.648 172.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 35.25 42.63 0.11 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.512 2.325 . . . . 0.0 114.645 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.04 53.36 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.338 1.447 . . . . 0.0 116.288 -169.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.3 144.19 40.4 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.718 1.607 . . . . 0.0 111.39 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -109.09 142.02 40.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.323 1.449 . . . . 0.0 112.671 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 156.75 46.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.739 2.016 . . . . 0.0 110.122 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.44 135.78 22.84 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.939 1.245 . . . . 0.0 112.778 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.22 113.95 22.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.563 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.87 -31.82 59.43 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.36 7.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.034 1.334 . . . . 0.0 114.581 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -129.13 12.11 6.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.084 1.753 . . . . 0.0 113.705 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm 37.74 42.31 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.579 1.952 . . . . 0.0 114.524 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -128.76 138.91 52.36 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.544 0.688 . . . . 0.0 112.375 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -101.67 145.71 28.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.615 2.366 . . . . 0.0 109.713 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.8 m -131.18 125.12 32.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.72 0.808 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.46 128.79 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 110.034 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -134.94 139.68 45.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 0.0 112.019 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.305 170.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.03 134.54 44.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 111.187 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.84 159.85 30.11 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.05 1.74 . . . . 0.0 111.438 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -134.88 152.78 52.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.704 1.202 . . . . 0.0 113.085 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -130.81 129.72 42.74 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.382 2.273 . . . . 0.0 110.087 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -110.68 128.15 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.467 1.507 . . . . 0.0 108.609 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.59 119.2 36.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.202 1.401 . . . . 0.0 110.995 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.04 115.19 23.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.879 1.671 . . . . 0.0 110.655 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 177.25 32.53 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.667 1.127 . . . . 0.0 114.618 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.14 -38.5 8.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.273 1.429 . . . . 0.0 111.564 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 m -77.42 -33.57 54.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.367 1.467 . . . . 0.0 112.487 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -151.86 151.77 31.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 111.863 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -136.44 157.09 47.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.233 1.813 . . . . 0.0 109.803 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.39 -173.89 45.87 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.84 136.53 24.28 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.575 1.95 . . . . 0.0 111.482 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -139.0 161.6 36.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.177 0.991 . . . . 0.0 113.66 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 141.52 27.17 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.09 1.356 . . . . 0.0 111.328 -172.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -145.88 166.05 27.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.118 1.767 . . . . 0.0 110.634 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -120.76 126.29 49.76 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.242 1.417 . . . . 0.0 110.867 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.23 167.88 20.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.112 1.765 . . . . 0.0 111.292 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.07 -39.73 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.98 172.39 16.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.3 1.44 . . . . 0.0 112.439 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.22 -31.94 61.87 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.957 1.303 . . . . 0.0 114.069 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -32.41 49.4 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.114 1.325 . . . . 0.0 111.543 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.7 m -68.99 -45.07 71.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.511 -1.368 . . . . 0.0 111.796 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.71 83.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.434 -1.416 . . . . 0.0 113.6 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.52 -42.03 99.25 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.314 0.646 . . . . 0.0 111.06 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.96 -45.77 87.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.643 -0.661 . . . . 0.0 112.215 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.7 -52.82 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 O-C-N 120.947 -1.095 . . . . 0.0 111.314 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.8 m-85 -60.47 -35.94 77.09 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -67.67 -26.25 66.1 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 172.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -40.71 96.07 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.125 1.33 . . . . 0.0 112.654 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -83.67 -34.91 24.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.596 1.158 . . . . 0.0 113.395 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -121.43 53.99 1.14 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -116.77 -42.5 2.96 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -145.15 13.53 1.44 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -56.25 -37.28 69.56 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.243 1.02 . . . . 0.0 111.519 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -24.73 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 127.907 2.67 . . . . 0.0 114.801 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.94 -54.51 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.489 1.144 . . . . 0.0 113.806 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 35.42 42.83 0.12 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 126.573 1.949 . . . . 0.0 114.309 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.86 175.13 35.09 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.88 119.04 23.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.096 1.758 . . . . 0.0 112.307 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -81.21 144.63 31.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.291 1.036 . . . . 0.0 113.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 m -138.89 154.68 48.4 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.709 2.404 . . . . 0.0 109.36 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -144.35 138.31 27.74 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.819 1.191 . . . . 0.0 113.154 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.1 104.77 11.17 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.134 2.174 . . . . 0.0 110.91 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.09 -34.8 78.37 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.538 1.535 . . . . 0.0 114.25 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.74 55.92 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -128.96 12.81 6.23 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.765 2.026 . . . . 0.0 113.595 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 43.12 45.24 4.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.938 1.695 . . . . 0.0 114.647 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 m -127.94 137.26 52.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -107.46 145.77 32.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.099 2.96 . . . . 0.0 109.711 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -135.26 122.53 21.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.017 0.927 . . . . 0.0 111.265 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -115.61 124.61 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.691 1.596 . . . . 0.0 110.634 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.9 m -135.06 115.83 13.91 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -169.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 124.776 1.231 . . . . 0.0 111.344 169.556 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ttp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.71 132.77 43.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.567 0.747 . . . . 0.0 111.858 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.7 159.72 30.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.007 1.723 . . . . 0.0 111.657 170.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.52 155.27 50.76 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.655 1.182 . . . . 0.0 112.688 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -133.32 135.26 44.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.502 2.321 . . . . 0.0 110.03 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -119.43 129.87 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.701 1.6 . . . . 0.0 108.846 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 tp -112.61 119.69 39.01 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.221 1.808 . . . . 0.0 110.562 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.64 131.55 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.668 1.187 . . . . 0.0 109.725 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.57 -173.41 43.91 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 115.335 0.894 . . . . 0.0 115.335 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -111.98 -12.62 13.71 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.869 1.668 . . . . 0.0 113.58 -173.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 45.6 m -113.56 -26.72 8.15 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.631 1.573 . . . . 0.0 112.336 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.44 144.48 24.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 111.374 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -131.57 151.61 51.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.022 1.329 . . . . 0.0 109.63 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.57 -173.48 44.42 Favored Glycine 0 N--CA 1.471 0.985 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -147.57 137.19 22.69 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.805 2.042 . . . . 0.0 110.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.0 p -139.32 165.76 26.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.321 1.048 . . . . 0.0 113.03 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.33 145.5 30.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.998 1.319 . . . . 0.0 111.181 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.436 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.2 t -143.87 166.14 25.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.949 1.7 . . . . 0.0 111.276 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.48 112.84 16.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.326 1.45 . . . . 0.0 109.995 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.7 166.28 21.08 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.311 1.444 . . . . 0.0 111.936 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.9 p -71.26 -38.08 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -155.24 168.62 26.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.352 1.461 . . . . 0.0 109.495 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -28.22 36.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.899 1.679 . . . . 0.0 112.693 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.26 62.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.746 1.218 . . . . 0.0 111.892 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 43.9 m -70.93 -42.77 69.42 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.894 -1.129 . . . . 0.0 111.988 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.81 88.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.832 -1.168 . . . . 0.0 113.561 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.25 -39.17 93.85 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 170.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -66.86 -43.8 82.64 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.68 -52.18 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.288 -1.507 . . . . 0.0 111.27 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.436 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.0 m-85 -61.07 -35.82 77.97 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.53 -20.42 60.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -72.8 -43.25 63.0 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.546 -1.346 . . . . 0.0 112.274 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.85 -40.82 62.99 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.19 -0.943 . . . . 0.0 112.625 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -110.56 33.54 4.47 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.727 1.611 . . . . 0.0 114.204 -171.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -55.62 -42.91 75.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -155.24 -71.24 0.12 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.5 1.52 . . . . 0.0 111.239 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 48.38 28.62 1.71 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 126.306 1.842 . . . . 0.0 114.846 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.32 2.43 7.13 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.843 2.64 . . . . 0.0 115.672 -171.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.3 -53.34 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.866 1.333 . . . . 0.0 109.851 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.99 42.56 0.46 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.141 2.176 . . . . 0.0 114.23 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.75 54.72 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.589 1.09 . . . . 0.0 114.572 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.58 137.58 46.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.786 1.235 . . . . 0.0 110.743 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -101.78 141.59 34.39 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.713 1.205 . . . . 0.0 112.033 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -138.77 152.77 48.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.87 2.068 . . . . 0.0 109.489 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -143.4 137.17 28.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.964 1.257 . . . . 0.0 111.844 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -117.98 111.77 19.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.781 2.032 . . . . 0.0 109.676 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.57 -34.14 62.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.499 0.72 . . . . 0.0 112.818 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.81 -12.05 6.59 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.769 1.628 . . . . 0.0 114.879 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -129.34 12.63 6.02 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.788 1.635 . . . . 0.0 114.218 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 40.07 41.3 0.9 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.536 1.934 . . . . 0.0 114.954 -174.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.4 m -126.02 136.88 53.48 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.714 -0.617 . . . . 0.0 112.414 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -104.25 145.59 30.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.558 2.343 . . . . 0.0 109.195 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.2 m -131.43 134.44 46.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.968 0.907 . . . . 0.0 109.943 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 t -123.44 127.09 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.403 1.481 . . . . 0.0 109.251 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.78 136.35 42.51 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.85 0.86 . . . . 0.0 112.648 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 124.281 1.032 . . . . 0.0 111.899 170.023 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.03 133.12 44.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.213 1.005 . . . . 0.0 111.412 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 159.26 31.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.216 1.806 . . . . 0.0 111.774 170.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -135.25 155.21 51.03 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.506 1.123 . . . . 0.0 113.106 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -133.37 125.26 28.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.892 2.477 . . . . 0.0 110.783 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.73 124.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.205 1.402 . . . . 0.0 109.346 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -113.66 115.94 28.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.302 1.441 . . . . 0.0 110.968 -171.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.2 112.89 19.65 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.13 1.772 . . . . 0.0 111.587 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 169.52 33.57 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.759 1.171 . . . . 0.0 114.438 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -79.32 -36.67 39.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.498 1.119 . . . . 0.0 113.283 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -88.85 -26.86 21.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.12 1.368 . . . . 0.0 113.916 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.86 147.28 26.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.206 1.402 . . . . 0.0 111.784 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -136.19 158.91 43.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.933 1.693 . . . . 0.0 109.994 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.87 -174.63 46.79 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -144.65 129.23 18.08 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.723 2.009 . . . . 0.0 111.481 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 p -134.85 159.3 41.83 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.73 141.13 29.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 111.064 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -142.98 166.05 25.7 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.036 1.735 . . . . 0.0 110.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -121.19 121.63 38.22 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.064 1.746 . . . . 0.0 109.84 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.7 27.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.384 1.474 . . . . 0.0 111.262 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.1 -40.94 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.764 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -150.08 167.61 26.28 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.803 1.241 . . . . 0.0 112.939 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.21 -28.73 28.35 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.163 1.785 . . . . 0.0 112.657 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.95 -41.91 61.32 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.823 1.649 . . . . 0.0 111.662 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -68.54 -46.32 69.81 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.56 -1.338 . . . . 0.0 112.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.22 90.14 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.96 -1.087 . . . . 0.0 113.376 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.7 -31.2 67.98 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.086 -0.959 . . . . 0.0 112.517 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.67 -48.47 79.15 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.189 1.359 . . . . 0.0 110.984 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.66 -51.38 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.346 -0.846 . . . . 0.0 111.264 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.02 -39.47 89.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.41 -20.43 63.8 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.8 -41.26 68.49 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.972 -1.705 . . . . 0.0 112.605 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -81.17 -25.01 37.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -133.6 117.52 17.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.971 1.308 . . . . 0.0 112.238 -175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -161.86 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.852 0.861 . . . . 0.0 112.877 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.86 10.8 2.01 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.597 1.959 . . . . 0.0 114.04 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -57.46 -35.91 70.77 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.23 1.012 . . . . 0.0 111.44 169.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.97 -36.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 117.724 1.85 . . . . 0.0 117.724 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.86 -47.5 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.922 1.361 . . . . 0.0 113.463 -172.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.12 44.21 0.39 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.417 1.887 . . . . 0.0 114.437 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.88 176.35 24.78 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.14 1.352 . . . . 0.0 116.25 -169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -79.28 133.93 36.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.564 1.945 . . . . 0.0 111.768 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -95.28 144.96 25.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.4 1.48 . . . . 0.0 113.465 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 m -138.95 155.85 47.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.902 1.681 . . . . 0.0 110.04 171.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -143.61 139.87 29.87 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.675 1.19 . . . . 0.0 112.493 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -118.07 106.49 12.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.652 1.981 . . . . 0.0 110.739 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.29 -31.62 72.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.99 1.716 . . . . 0.0 113.205 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.72 -27.06 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.263 1.425 . . . . 0.0 113.286 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -128.75 8.86 5.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.679 1.592 . . . . 0.0 112.737 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 39.74 42.12 0.93 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.536 1.934 . . . . 0.0 114.018 -172.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -129.1 134.58 48.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.994 0.902 . . . . 0.0 112.658 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.15 145.81 28.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.323 2.649 . . . . 0.0 109.904 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -125.4 144.59 50.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.099 0.959 . . . . 0.0 110.092 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 122.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 108.903 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 m -134.71 139.67 45.38 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 124.297 1.039 . . . . 0.0 111.373 169.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.6 tpp . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.79 130.5 35.8 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.018 0.927 . . . . 0.0 111.309 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -124.69 161.8 25.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.109 1.764 . . . . 0.0 111.777 172.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.5 155.28 50.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.936 1.294 . . . . 0.0 112.906 -171.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -134.67 125.2 26.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.366 2.266 . . . . 0.0 110.757 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.8 mt -105.87 128.57 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 109.162 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -110.71 119.77 40.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.188 1.795 . . . . 0.0 110.519 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -119.25 131.73 55.83 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.904 0.882 . . . . 0.0 109.118 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.18 -177.06 48.33 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.233 0.92 . . . . 0.0 114.439 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.8 -29.8 9.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.949 1.3 . . . . 0.0 112.767 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.6 p -76.75 -44.28 33.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.561 1.144 . . . . 0.0 111.128 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.45 146.02 30.43 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.496 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.47 151.97 50.37 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.099 1.36 . . . . 0.0 109.747 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.84 43.58 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -146.3 133.9 20.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.932 2.093 . . . . 0.0 111.156 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -135.21 165.73 24.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 0.0 112.948 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -145.63 145.7 31.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 110.425 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.9 t -142.93 165.36 27.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.958 1.703 . . . . 0.0 111.11 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -122.65 119.73 31.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.686 1.595 . . . . 0.0 108.283 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.29 154.95 50.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.781 1.632 . . . . 0.0 112.328 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.37 -35.2 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 122.962 0.505 . . . . 0.0 111.962 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -155.92 172.5 18.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.941 1.696 . . . . 0.0 110.626 172.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.49 49.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.937 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.87 78.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.301 1.841 . . . . 0.0 112.586 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -77.97 -37.05 48.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.638 -0.664 . . . . 0.0 111.448 172.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.8 99.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.421 -1.425 . . . . 0.0 113.645 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.54 -32.89 73.99 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 118.834 -0.603 . . . . 0.0 112.529 170.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.87 -47.55 84.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.827 0.739 . . . . 0.0 112.012 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.11 -52.02 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.136 -0.978 . . . . 0.0 111.645 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.7 m-85 -62.43 -35.44 79.26 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.9 -32.24 70.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.394 -0.816 . . . . 0.0 112.294 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -33.94 73.59 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.79 -1.194 . . . . 0.0 112.685 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -88.02 -29.24 20.86 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.27 7.99 3.96 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 -169.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -68.41 -28.87 67.47 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 122.337 2.335 . . . . 0.0 116.59 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.01 28.2 0.31 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.67 -36.35 78.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.232 1.015 . . . . 0.0 110.897 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.83 -21.61 0.11 Allowed Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.294 1.677 . . . . 0.0 117.294 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.81 -34.43 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 36.48 37.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.078 2.151 . . . . 0.0 114.495 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.86 174.95 50.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.278 1.418 . . . . 0.0 116.287 -169.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.13 135.61 47.74 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.708 1.603 . . . . 0.0 111.281 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -104.07 140.27 38.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.086 1.354 . . . . 0.0 111.481 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -138.89 157.37 46.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.915 2.086 . . . . 0.0 109.71 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -143.66 137.89 28.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.791 1.236 . . . . 0.0 112.44 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.11 109.11 16.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.132 2.173 . . . . 0.0 110.095 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.76 -35.57 70.12 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.36 12.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.199 1.799 . . . . 0.0 115.308 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -129.28 12.1 5.98 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.748 1.619 . . . . 0.0 114.854 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 45.93 32.24 1.28 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.893 1.677 . . . . 0.0 113.721 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 88.7 m -119.13 134.66 55.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.18 -0.95 . . . . 0.0 113.127 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.84 145.7 28.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.048 2.539 . . . . 0.0 110.031 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -126.95 138.37 53.27 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.818 0.847 . . . . 0.0 110.838 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.96 130.08 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.507 1.923 . . . . 0.0 109.384 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 94.4 m -134.66 121.33 20.69 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.683 0.793 . . . . 0.0 111.401 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 126.136 1.774 . . . . 0.0 112.477 177.45 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -72.91 134.38 44.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.996 0.918 . . . . 0.0 111.477 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -124.86 157.61 35.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.369 1.867 . . . . 0.0 111.545 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -132.8 155.25 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.603 1.161 . . . . 0.0 112.533 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.51 133.4 45.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.975 2.51 . . . . 0.0 110.17 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.61 123.88 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.686 1.594 . . . . 0.0 109.327 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.84 117.99 35.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.246 1.418 . . . . 0.0 110.529 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.24 110.97 17.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.917 1.687 . . . . 0.0 110.767 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.0 172.71 31.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.18 0.895 . . . . 0.0 114.897 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -77.64 -33.7 53.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.874 1.27 . . . . 0.0 112.99 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 p -83.83 -29.66 27.12 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.827 1.651 . . . . 0.0 114.068 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -151.87 149.36 28.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 112.472 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -140.75 138.97 34.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.816 1.246 . . . . 0.0 109.521 169.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.02 -170.59 43.74 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.271 1.269 . . . . 0.0 116.271 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -145.74 145.3 30.8 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.671 1.589 . . . . 0.0 113.244 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 p -136.58 161.95 34.48 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 142.67 31.87 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.151 1.38 . . . . 0.0 110.811 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.5 t -145.99 166.16 26.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.708 1.603 . . . . 0.0 110.587 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.84 127.77 52.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 110.565 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.22 166.0 24.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.112 1.765 . . . . 0.0 111.18 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -40.43 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.174 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.29 170.02 22.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.167 1.387 . . . . 0.0 110.498 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.67 17.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.006 1.723 . . . . 0.0 113.207 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.9 61.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.241 1.416 . . . . 0.0 111.372 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.2 m -70.47 -43.18 70.34 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.834 -1.166 . . . . 0.0 112.224 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.87 88.58 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.636 -1.29 . . . . 0.0 113.739 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.38 -31.18 67.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.643 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.36 -46.44 86.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.809 1.186 . . . . 0.0 111.194 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.44 -53.12 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 O-C-N 121.225 -0.922 . . . . 0.0 111.01 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -60.11 -38.23 82.36 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.46 -25.29 65.82 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.548 -0.72 . . . . 0.0 112.575 173.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.9 -39.7 87.52 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 119.601 -1.937 . . . . 0.0 112.43 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.55 -26.75 45.74 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -132.28 30.4 4.2 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -62.02 -56.42 19.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -158.05 25.67 0.26 Allowed 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -170.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -55.92 -42.5 76.2 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 122.288 1.042 . . . . 0.0 112.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.57 -31.76 0.07 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.301 1.68 . . . . 0.0 117.301 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.1 -44.1 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 117.998 0.899 . . . . 0.0 112.347 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.56 40.76 0.25 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.865 2.066 . . . . 0.0 114.27 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 169.8 52.33 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.499 0.959 . . . . 0.0 115.499 -169.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.89 121.68 18.55 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 110.279 169.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -82.23 142.27 32.29 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.904 0.882 . . . . 0.0 111.826 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.3 m -139.21 157.88 45.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.378 1.871 . . . . 0.0 109.987 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -143.09 141.32 31.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.867 1.267 . . . . 0.0 113.16 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.97 116.59 27.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.714 2.406 . . . . 0.0 111.904 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.52 -25.67 33.2 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.74 68.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.505 0.722 . . . . 0.0 112.407 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -128.66 1.32 5.5 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.607 1.563 . . . . 0.0 113.511 -171.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt 54.81 38.91 31.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.741 1.617 . . . . 0.0 112.558 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.28 135.94 53.77 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.712 0.768 . . . . 0.0 111.991 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -106.65 145.67 31.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.965 2.506 . . . . 0.0 109.99 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -128.87 144.26 51.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.944 0.898 . . . . 0.0 110.237 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.96 121.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.293 1.837 . . . . 0.0 108.738 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -134.9 139.61 45.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.528 1.131 . . . . 0.0 113.972 -172.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 124.097 0.959 . . . . 0.0 111.198 169.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 132.99 39.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.851 0.86 . . . . 0.0 111.236 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.58 157.22 35.95 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.483 1.513 . . . . 0.0 112.015 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -135.4 153.95 51.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.643 1.177 . . . . 0.0 112.339 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.2 130.62 44.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.39 2.276 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -115.3 123.97 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.655 1.582 . . . . 0.0 108.589 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 tp -113.62 119.3 36.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.685 1.594 . . . . 0.0 109.938 -173.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -120.19 113.41 20.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.182 1.393 . . . . 0.0 109.663 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.5 173.04 34.31 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.945 0.783 . . . . 0.0 114.28 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -88.73 -39.87 13.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.705 1.202 . . . . 0.0 111.68 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.4 m -66.7 -51.35 57.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.194 1.398 . . . . 0.0 111.166 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -145.81 149.13 33.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.963 1.305 . . . . 0.0 112.111 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -130.22 156.58 44.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.198 1.799 . . . . 0.0 109.917 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.21 -178.32 48.26 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 116.912 1.525 . . . . 0.0 116.912 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -148.59 128.75 13.69 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.257 2.223 . . . . 0.0 111.247 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -137.56 163.76 30.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.124 0.97 . . . . 0.0 113.119 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.75 144.5 31.85 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 111.267 -172.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -145.36 166.29 26.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.464 1.906 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.92 131.33 56.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.52 1.128 . . . . 0.0 110.114 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.49 159.87 40.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.995 1.718 . . . . 0.0 112.169 -174.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -69.51 -37.53 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.335 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.67 168.33 27.15 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.911 1.685 . . . . 0.0 110.816 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.83 35.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.174 1.79 . . . . 0.0 112.535 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.31 65.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.855 1.262 . . . . 0.0 113.236 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -81.21 -44.68 17.45 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.215 -0.928 . . . . 0.0 111.358 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.58 99.29 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.754 -1.216 . . . . 0.0 113.361 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.45 -42.33 95.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.843 0.857 . . . . 0.0 110.911 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.94 -43.71 95.05 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.31 -48.71 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.441 -1.412 . . . . 0.0 112.058 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.21 -37.23 86.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.784 -1.198 . . . . 0.0 113.381 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.04 -20.53 60.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -72.68 -35.84 67.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 112.372 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -81.3 -36.85 29.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -115.75 30.03 7.61 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.33 -37.82 62.66 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -158.31 -59.91 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.206 1.802 . . . . 0.0 110.285 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 63.99 -72.83 0.05 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 130.012 3.325 . . . . 0.0 112.895 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.78 16.6 0.12 Allowed Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.514 1.53 . . . . 0.0 114.992 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.01 -29.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 39.39 47.38 1.51 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.696 1.598 . . . . 0.0 113.744 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 160.69 42.65 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.274 0.94 . . . . 0.0 115.157 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.57 121.06 20.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.81 1.644 . . . . 0.0 110.65 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -84.95 140.16 31.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.792 0.837 . . . . 0.0 111.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.95 154.29 48.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.303 2.241 . . . . 0.0 109.201 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -143.95 139.15 28.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.612 1.096 . . . . 0.0 112.421 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -118.04 113.14 21.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.002 2.121 . . . . 0.0 109.776 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.23 -33.72 63.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.534 -0.729 . . . . 0.0 112.836 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.69 -19.83 2.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.203 2.201 . . . . 0.0 115.191 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 27.2 p -129.01 6.63 5.45 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.531 1.933 . . . . 0.0 113.824 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 38.05 40.19 0.29 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.09 1.756 . . . . 0.0 114.308 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.0 m -126.08 136.9 53.47 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.704 0.764 . . . . 0.0 112.371 -169.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.16 145.58 30.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.216 2.207 . . . . 0.0 109.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 40.4 m -130.14 137.04 49.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.264 1.025 . . . . 0.0 110.212 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.35 122.13 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.914 1.686 . . . . 0.0 109.17 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 86.4 m -134.86 140.05 45.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.408 1.083 . . . . 0.0 112.387 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 118.031 -0.985 . . . . 0.0 111.624 169.751 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.0 133.6 44.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.974 0.91 . . . . 0.0 110.969 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.84 156.71 37.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.787 1.635 . . . . 0.0 111.572 171.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.64 154.65 49.88 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.664 1.185 . . . . 0.0 112.701 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.62 115.57 13.99 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.724 2.41 . . . . 0.0 110.426 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -92.64 127.28 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.913 1.285 . . . . 0.0 108.933 172.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.6 tp -107.84 119.11 38.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.069 1.348 . . . . 0.0 111.142 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.99 134.98 55.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.428 1.491 . . . . 0.0 109.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.91 177.75 47.71 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -98.31 -5.86 32.1 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -128.94 -23.72 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.77 2.028 . . . . 0.0 113.818 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 142.57 23.0 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.006 1.722 . . . . 0.0 110.322 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -139.78 148.02 41.62 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.762 1.225 . . . . 0.0 110.611 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.35 -167.05 40.22 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.549 1.379 . . . . 0.0 116.549 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -144.24 131.63 20.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.328 1.851 . . . . 0.0 111.208 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 p -134.25 159.11 41.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.315 1.046 . . . . 0.0 112.56 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -146.33 140.95 26.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.798 1.239 . . . . 0.0 111.142 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -142.36 165.54 27.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.983 1.713 . . . . 0.0 110.47 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -118.41 122.72 43.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.617 1.567 . . . . 0.0 110.193 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.24 166.26 23.84 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.469 1.508 . . . . 0.0 111.326 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.48 -42.3 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.875 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.48 167.87 25.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.208 1.403 . . . . 0.0 112.001 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.2 -30.92 29.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.145 -1.843 . . . . 0.0 112.745 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.28 61.21 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.818 1.247 . . . . 0.0 112.037 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.4 m -69.52 -44.79 70.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.527 -1.358 . . . . 0.0 112.079 172.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.02 87.47 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.757 -1.214 . . . . 0.0 113.29 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.48 -39.89 94.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.351 0.66 . . . . 0.0 110.95 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -65.52 -45.71 82.43 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.484 -0.76 . . . . 0.0 112.93 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.12 -50.9 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.818 -1.176 . . . . 0.0 111.523 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.38 -40.56 91.28 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.313 -0.867 . . . . 0.0 113.072 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.96 -21.33 64.19 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.45 -43.68 63.42 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.41 1.459 . . . . 0.0 112.776 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -70.8 -27.96 64.29 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.96 31.31 6.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.79 -60.66 2.66 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.79 22.59 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.997 1.719 . . . . 0.0 113.624 -171.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.84 -32.06 72.36 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 121.108 -0.995 . . . . 0.0 111.55 174.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.78 -21.02 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.74 -62.37 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.711 1.255 . . . . 0.0 112.072 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 39.56 41.56 0.77 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.788 1.635 . . . . 0.0 113.709 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.13 -171.31 33.79 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.635 1.588 . . . . 0.0 117.067 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -87.88 118.26 27.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.253 1.821 . . . . 0.0 112.617 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -88.95 143.55 26.79 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.028 1.331 . . . . 0.0 113.513 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -139.01 156.82 46.92 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 127.544 2.337 . . . . 0.0 110.265 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -140.86 141.11 34.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.063 1.301 . . . . 0.0 114.15 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -117.97 118.63 32.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.89 2.876 . . . . 0.0 112.369 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -82.73 -28.22 30.61 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.42 -24.87 58.16 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.959 0.904 . . . . 0.0 112.995 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 p -128.7 -6.52 5.13 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.528 1.531 . . . . 0.0 113.704 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.24 44.21 22.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.585 1.554 . . . . 0.0 110.978 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 m -116.99 138.48 51.53 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.505 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.55 145.87 37.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.283 2.633 . . . . 0.0 109.138 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -133.51 121.77 22.65 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.479 0.712 . . . . 0.0 111.383 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.61 130.59 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.584 1.554 . . . . 0.0 110.16 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -134.85 140.07 45.53 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 127.291 2.237 . . . . 0.0 110.851 169.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -73.05 133.24 44.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.794 0.838 . . . . 0.0 111.448 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.66 158.49 33.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.947 1.699 . . . . 0.0 111.903 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.68 154.01 51.26 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.81 1.244 . . . . 0.0 112.576 -173.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.27 131.63 44.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.315 2.246 . . . . 0.0 109.863 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 45.4 mt -114.86 126.1 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.839 1.656 . . . . 0.0 108.484 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -111.8 119.48 38.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.364 1.466 . . . . 0.0 109.939 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.93 124.36 45.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.073 1.349 . . . . 0.0 109.207 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.15 173.41 45.52 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -83.73 -40.96 18.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.968 1.307 . . . . 0.0 113.491 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -82.43 -30.95 29.77 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.52 146.16 25.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.088 1.355 . . . . 0.0 112.771 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -131.04 154.85 47.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.038 1.735 . . . . 0.0 109.687 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.0 -173.96 42.9 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -145.96 133.92 21.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.634 1.974 . . . . 0.0 110.683 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.6 p -138.95 165.85 26.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.321 1.048 . . . . 0.0 112.833 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 145.31 30.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.381 1.472 . . . . 0.0 111.453 -170.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 166.31 26.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.262 1.825 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.39 120.76 29.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.354 1.061 . . . . 0.0 110.76 169.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.19 168.94 17.14 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.225 1.81 . . . . 0.0 111.405 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.98 -40.34 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.546 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.07 170.09 21.97 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.299 1.44 . . . . 0.0 110.256 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.2 -27.61 22.61 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.299 1.84 . . . . 0.0 113.218 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.54 -34.61 58.53 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.773 1.229 . . . . 0.0 112.152 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.1 m -75.79 -41.47 52.8 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.83 -1.169 . . . . 0.0 111.264 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.42 86.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.774 -1.204 . . . . 0.0 113.332 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.7 -40.16 96.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.753 0.821 . . . . 0.0 111.298 170.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.9 -44.55 89.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.2 -51.48 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 O-C-N 120.27 -1.519 . . . . 0.0 111.518 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.23 -38.24 82.79 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.3 -20.47 59.09 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.74 -43.59 68.55 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.791 -1.193 . . . . 0.0 111.779 169.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -75.93 -36.73 59.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.72 32.31 6.07 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.462 1.505 . . . . 0.0 114.249 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -51.32 -42.87 61.51 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -160.42 -51.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.622 1.969 . . . . 0.0 110.99 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.85 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 129.018 2.927 . . . . 0.0 113.267 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.99 29.27 0.65 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 127.118 2.294 . . . . 0.0 112.515 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.2 -54.12 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.414 1.485 . . . . 0.0 111.517 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 39.52 41.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.077 1.751 . . . . 0.0 113.922 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.48 174.85 54.98 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.818 1.199 . . . . 0.0 115.012 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.5 141.5 44.9 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.214 1.406 . . . . 0.0 111.251 170.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.94 141.95 37.34 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.212 1.405 . . . . 0.0 112.357 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -138.7 153.16 48.5 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.894 2.078 . . . . 0.0 109.705 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -145.33 144.0 30.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.731 1.212 . . . . 0.0 112.402 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.07 114.16 22.69 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.572 1.949 . . . . 0.0 111.427 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.74 -11.37 58.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.455 -1.403 . . . . 0.0 114.398 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.42 -20.11 55.07 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.315 3.0 t -129.71 7.32 5.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt 53.2 39.18 29.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.902 1.681 . . . . 0.0 114.033 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -126.12 139.72 53.15 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.229 . . . . 0.0 110.749 -172.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.27 145.58 39.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.776 2.43 . . . . 0.0 109.108 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.5 m -131.44 135.86 47.49 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.876 0.87 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.98 123.29 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.45 1.5 . . . . 0.0 109.608 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -134.99 139.91 45.25 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 113.07 -172.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.44 169.77 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.13 131.48 42.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.316 0.647 . . . . 0.0 110.812 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.9 159.08 31.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.76 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -134.46 154.91 51.17 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.768 1.227 . . . . 0.0 112.606 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.93 129.56 40.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.686 2.395 . . . . 0.0 110.489 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -111.41 124.76 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.474 1.509 . . . . 0.0 109.123 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 tp -112.14 116.22 30.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.789 1.236 . . . . 0.0 111.069 -172.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.14 114.39 21.88 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.881 1.672 . . . . 0.0 110.758 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.29 170.57 35.63 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.466 1.508 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -86.64 -35.72 19.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -75.69 -46.21 32.58 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.386 0.674 . . . . 0.0 111.61 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -144.4 150.18 37.31 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.348 1.459 . . . . 0.0 111.971 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.23 158.59 42.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.504 1.922 . . . . 0.0 109.905 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.17 -172.49 44.83 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 116.69 1.436 . . . . 0.0 116.69 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.78 133.64 21.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.597 1.959 . . . . 0.0 111.774 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 p -137.41 158.28 44.74 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -143.32 140.47 30.58 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.025 1.33 . . . . 0.0 111.33 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.17 166.17 26.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.915 2.086 . . . . 0.0 111.075 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.24 125.7 44.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.675 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 171.2 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.218 1.807 . . . . 0.0 111.168 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.16 -40.41 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.186 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -151.24 169.9 20.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.523 1.529 . . . . 0.0 112.654 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.13 51.13 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.142 1.377 . . . . 0.0 113.47 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.78 -36.91 49.98 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.3 1.04 . . . . 0.0 111.072 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -68.95 -44.22 73.43 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.674 -1.266 . . . . 0.0 111.794 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.56 82.09 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.775 -1.203 . . . . 0.0 113.41 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.74 -39.35 94.07 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.491 0.716 . . . . 0.0 110.691 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -65.81 -44.85 84.4 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.282 -0.886 . . . . 0.0 112.893 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -51.01 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 120.339 -1.475 . . . . 0.0 111.066 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.77 -39.85 82.19 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -67.58 -26.24 66.18 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.81 -41.71 67.91 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.159 -1.588 . . . . 0.0 112.732 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.07 -34.53 66.3 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -130.75 116.92 18.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.148 1.379 . . . . 0.0 113.217 -170.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -164.18 -39.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -159.8 15.85 0.15 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -56.73 -39.05 73.24 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.163 0.982 . . . . 0.0 110.706 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.62 30.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.229 0 N-CA-C 117.866 1.907 . . . . 0.0 117.866 -174.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.1 -49.16 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 42.13 41.89 2.22 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.657 1.583 . . . . 0.0 114.607 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.85 54.94 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.56 1.076 . . . . 0.0 114.934 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -74.3 123.1 23.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.918 1.287 . . . . 0.0 111.775 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -80.37 141.77 35.06 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 112.398 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -138.92 154.59 48.36 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.043 2.137 . . . . 0.0 109.748 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -142.54 136.61 29.46 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.636 1.107 . . . . 0.0 112.685 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -117.95 102.03 8.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.009 2.124 . . . . 0.0 110.55 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -29.79 69.8 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -20.85 47.86 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -129.02 12.69 6.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.691 1.997 . . . . 0.0 113.067 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt 42.09 44.1 3.0 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.044 1.738 . . . . 0.0 114.432 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.1 m -128.54 135.92 50.05 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.899 0.857 . . . . 0.0 112.591 -171.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -100.53 145.68 28.02 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.979 2.512 . . . . 0.0 109.707 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.5 m -127.04 148.61 50.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.087 0.955 . . . . 0.0 109.994 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.94 122.78 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.086 1.754 . . . . 0.0 108.736 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -134.84 111.6 10.02 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.773 1.229 . . . . 0.0 111.711 169.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -77.03 131.16 38.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.517 0.727 . . . . 0.0 110.964 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.72 158.41 33.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.869 1.668 . . . . 0.0 111.544 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.52 154.23 51.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.706 1.203 . . . . 0.0 112.923 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.62 114.93 13.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.183 2.193 . . . . 0.0 110.986 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -94.76 127.71 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.929 1.291 . . . . 0.0 109.277 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.84 119.8 40.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.622 1.969 . . . . 0.0 110.445 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.3 134.22 55.22 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.209 1.004 . . . . 0.0 108.989 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.33 48.45 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.36 -41.08 5.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.393 1.477 . . . . 0.0 112.016 -173.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 44.3 m -75.29 -31.8 60.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.698 1.199 . . . . 0.0 112.566 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -151.55 146.96 26.25 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.53 1.132 . . . . 0.0 113.255 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -132.61 150.16 52.2 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.272 1.429 . . . . 0.0 109.098 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.13 -174.55 45.96 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -146.76 134.22 20.82 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.993 2.117 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.8 p -136.69 164.95 27.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.856 0.863 . . . . 0.0 113.063 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -146.38 146.15 30.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.151 1.38 . . . . 0.0 111.016 -171.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.418 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 6.8 t -145.0 166.04 26.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.165 1.786 . . . . 0.0 111.525 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -126.66 115.02 18.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.193 1.397 . . . . 0.0 111.023 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.12 161.76 34.43 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.722 1.609 . . . . 0.0 111.899 -170.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.18 -36.17 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.86 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -153.62 169.31 23.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.203 1.801 . . . . 0.0 111.23 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.55 62.11 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.456 1.102 . . . . 0.0 113.21 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.06 -35.11 64.25 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.141 -0.974 . . . . 0.0 111.78 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.3 m -69.17 -43.38 74.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 111.549 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.36 94.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.642 -1.286 . . . . 0.0 113.583 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.69 -39.43 91.43 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.052 0.941 . . . . 0.0 110.964 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.51 -42.43 87.36 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.86 -50.37 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.359 -1.463 . . . . 0.0 111.565 171.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' B' ' 18' ' ' THR . 25.4 m-85 -62.76 -34.6 77.57 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.039 -1.038 . . . . 0.0 113.593 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.61 -20.39 60.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.82 -37.86 62.19 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.043 -1.036 . . . . 0.0 112.079 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -77.17 -33.0 56.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 172.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.6 29.79 7.02 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.395 1.478 . . . . 0.0 114.682 -170.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.98 -44.11 63.89 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -158.27 -70.86 0.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 26.94 59.96 0.09 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 128.849 2.86 . . . . 0.0 117.231 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.68 11.6 85.29 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 120.245 -1.534 . . . . 0.0 116.124 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.58 -60.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.949 1.3 . . . . 0.0 111.346 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 36.93 44.04 0.33 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.36 1.864 . . . . 0.0 114.297 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.52 178.95 47.63 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.047 1.308 . . . . 0.0 115.896 -169.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.98 140.84 37.92 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.443 1.497 . . . . 0.0 111.537 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -108.57 142.36 39.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.409 1.484 . . . . 0.0 112.75 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -138.87 154.81 48.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.912 2.085 . . . . 0.0 109.672 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -144.44 145.21 31.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.858 1.263 . . . . 0.0 112.882 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -117.97 116.34 26.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.17 2.188 . . . . 0.0 110.935 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.11 -28.18 61.23 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.124 -0.985 . . . . 0.0 113.585 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.4 59.95 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.346 2.7 t -129.17 10.52 5.83 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 53.97 33.25 17.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.463 1.505 . . . . 0.0 112.381 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -119.98 134.99 55.08 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.963 -170.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.76 145.62 29.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.593 2.357 . . . . 0.0 109.567 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -128.11 137.1 51.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.872 0.869 . . . . 0.0 110.348 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.01 128.16 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.91 1.684 . . . . 0.0 109.603 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.73 139.23 45.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.157 0.983 . . . . 0.0 111.378 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.227 1.011 . . . . 0.0 112.003 171.09 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.08 133.91 44.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.039 0.936 . . . . 0.0 111.705 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.82 160.02 29.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.461 1.904 . . . . 0.0 111.728 170.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -134.0 155.24 50.32 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.997 1.319 . . . . 0.0 112.941 -174.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.31 130.44 37.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.748 2.419 . . . . 0.0 110.641 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.3 mt -112.35 125.12 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.45 1.5 . . . . 0.0 109.545 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.8 tp -108.16 119.09 38.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 0.0 111.469 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.02 112.83 19.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.31 1.844 . . . . 0.0 109.774 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.84 176.09 40.69 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.798 0.679 . . . . 0.0 114.798 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -93.21 -37.72 11.93 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.345 1.458 . . . . 0.0 111.517 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -75.05 -36.29 61.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.458 1.503 . . . . 0.0 112.668 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -151.94 150.52 30.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.308 1.443 . . . . 0.0 111.514 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.96 148.24 48.4 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.432 1.493 . . . . 0.0 109.163 169.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -173.14 44.09 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 116.712 1.445 . . . . 0.0 116.712 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -144.17 131.58 20.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.367 1.867 . . . . 0.0 111.348 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -133.61 162.4 32.02 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.232 1.013 . . . . 0.0 113.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.52 144.9 31.56 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.13 1.372 . . . . 0.0 110.928 -171.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.3 t -146.59 165.67 28.8 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.461 1.504 . . . . 0.0 110.845 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -122.7 126.14 46.96 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.004 1.321 . . . . 0.0 110.53 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 171.19 14.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.967 1.707 . . . . 0.0 110.971 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.19 -46.68 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.299 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -146.89 166.77 25.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.027 1.331 . . . . 0.0 113.572 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.78 -29.57 28.18 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.669 1.587 . . . . 0.0 113.039 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -41.66 49.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.324 1.05 . . . . 0.0 110.854 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -64.91 -47.18 78.68 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.73 -1.231 . . . . 0.0 112.003 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -38.07 82.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.812 -1.18 . . . . 0.0 113.646 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.87 -37.39 86.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.55 0.74 . . . . 0.0 110.749 171.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.94 -44.62 80.18 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.233 0.924 . . . . 0.0 112.905 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.84 -52.29 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.986 1.266 . . . . 0.0 110.783 173.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.1 m-85 -59.98 -36.32 76.89 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -66.56 -22.29 66.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 173.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -40.99 71.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.023 -1.673 . . . . 0.0 113.007 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -79.23 -25.68 42.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -130.11 111.26 12.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.056 1.343 . . . . 0.0 112.325 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -158.76 -63.55 0.08 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.354 1.062 . . . . 0.0 112.015 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -158.78 17.08 0.19 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.09 1.756 . . . . 0.0 114.796 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.66 -38.73 72.6 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.698 -0.626 . . . . 0.0 111.268 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.37 17.04 0.05 OUTLIER Glycine 0 N--CA 1.471 1.024 0 N-CA-C 117.849 1.9 . . . . 0.0 117.849 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.01 -46.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.15 43.28 1.88 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.986 1.314 . . . . 0.0 113.448 -170.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 172.55 51.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.93 129.82 34.92 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.382 2.273 . . . . 0.0 111.398 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -92.5 144.93 24.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.037 1.335 . . . . 0.0 113.498 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.99 156.47 47.2 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.027 1.731 . . . . 0.0 109.89 169.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -143.4 137.64 28.82 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.563 1.145 . . . . 0.0 112.759 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.14 110.02 17.1 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.151 2.18 . . . . 0.0 110.616 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -29.91 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.782 0.833 . . . . 0.0 113.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.51 -25.35 10.05 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 113.411 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.9 p -128.81 9.47 5.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.669 1.987 . . . . 0.0 112.442 -173.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.7 mmtm 38.16 43.61 0.59 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.526 1.93 . . . . 0.0 114.422 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -126.85 134.67 50.47 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.947 0.879 . . . . 0.0 112.656 -170.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.24 145.77 29.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.688 2.795 . . . . 0.0 110.033 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m -125.54 142.78 51.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.188 0.995 . . . . 0.0 109.973 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.67 124.26 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.302 1.841 . . . . 0.0 109.007 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.72 139.38 45.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.817 1.247 . . . . 0.0 113.291 -173.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 124.108 0.963 . . . . 0.0 111.466 169.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.31 133.43 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 111.296 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -124.72 156.53 37.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.103 1.761 . . . . 0.0 111.804 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -133.62 152.83 51.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 112.585 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -132.77 112.29 11.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.813 2.045 . . . . 0.0 111.129 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.64 123.89 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.315 1.446 . . . . 0.0 108.721 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HG11 ' B' ' 39' ' ' VAL . 30.8 tp -113.61 119.25 36.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.213 1.405 . . . . 0.0 110.116 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 123.29 42.89 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 13' ' ' LYS . . . -152.53 177.7 30.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.693 1.139 . . . . 0.0 114.584 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -101.35 -0.49 35.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.502 1.121 . . . . 0.0 113.341 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -131.31 -41.98 1.08 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.713 2.005 . . . . 0.0 110.783 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -136.32 145.45 45.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.114 1.365 . . . . 0.0 111.703 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' B' ' 9' ' ' GLY . 97.4 mttt -136.45 156.23 48.89 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.611 1.965 . . . . 0.0 110.203 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.14 -171.91 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 116.577 1.391 . . . . 0.0 116.577 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.59 131.66 23.16 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.49 1.916 . . . . 0.0 110.873 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -136.66 162.63 32.61 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.825 0.85 . . . . 0.0 112.942 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.92 143.74 30.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.457 1.503 . . . . 0.0 111.107 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -144.16 166.16 25.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 111.326 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -119.55 127.48 53.04 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.615 1.566 . . . . 0.0 109.297 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 156.77 48.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.713 1.605 . . . . 0.0 111.709 -171.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.65 -37.52 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.356 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -156.36 173.22 17.2 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.598 1.559 . . . . 0.0 110.898 173.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.06 -30.29 35.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.679 1.992 . . . . 0.0 113.345 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.83 46.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.888 1.275 . . . . 0.0 112.729 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -80.17 -39.21 29.77 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.244 -0.91 . . . . 0.0 111.039 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.56 88.68 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.761 -1.212 . . . . 0.0 112.268 169.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.66 -40.39 96.89 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.401 0.68 . . . . 0.0 111.721 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.49 -42.3 99.4 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.391 0.541 . . . . 0.0 112.34 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.42 -53.84 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.321 -0.862 . . . . 0.0 111.675 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.52 -34.42 77.75 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.19 -25.09 66.78 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.023 -1.048 . . . . 0.0 113.106 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -37.46 84.86 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.704 -1.248 . . . . 0.0 112.942 177.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -91.81 -27.68 17.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -122.35 21.57 10.28 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -53.93 -65.5 0.56 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -162.8 30.33 0.1 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.602 1.961 . . . . 0.0 113.307 -172.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.99 -33.77 76.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.58 23.77 0.02 OUTLIER Glycine 0 N--CA 1.479 1.549 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 173.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 7' ' ' LEU . 14.6 p -157.55 40.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.496 1.518 . . . . 0.0 111.496 -169.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -66.04 44.58 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 128.763 2.825 . . . . 0.0 114.122 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.95 -168.67 45.05 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 126.981 2.229 . . . . 0.0 116.413 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.57 115.08 10.33 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.083 1.353 . . . . 0.0 111.186 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -83.54 142.3 30.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.046 0.939 . . . . 0.0 111.425 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -138.93 155.47 48.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.29 2.236 . . . . 0.0 109.52 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -143.05 141.61 31.35 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.262 1.392 . . . . 0.0 113.493 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.05 120.05 36.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.194 2.598 . . . . 0.0 111.749 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.67 -29.95 29.61 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.063 -1.023 . . . . 0.0 112.989 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.67 -18.22 58.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.117 1.367 . . . . 0.0 114.19 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -128.89 -5.7 5.06 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt 54.19 40.41 31.65 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.755 1.222 . . . . 0.0 111.72 -174.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -116.52 138.39 51.43 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -170.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -112.36 145.58 39.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.7 2.0 . . . . 0.0 108.987 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.4 m -132.41 133.92 44.5 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.857 0.863 . . . . 0.0 109.888 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -125.32 127.35 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.341 1.456 . . . . 0.0 109.263 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -134.6 139.54 45.42 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -169.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 127.543 2.337 . . . . 0.0 110.683 169.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.28 133.98 36.64 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.032 0.933 . . . . 0.0 112.056 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.01 161.41 26.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.87 2.068 . . . . 0.0 111.815 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -135.56 155.31 50.68 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.869 1.268 . . . . 0.0 113.154 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.56 127.26 45.01 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.58 2.752 . . . . 0.0 109.598 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mt -106.69 125.07 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.581 1.552 . . . . 0.0 109.246 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.69 115.65 29.46 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.78 1.232 . . . . 0.0 110.974 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.14 115.82 24.43 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.599 1.56 . . . . 0.0 111.316 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 172.88 29.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.527 1.537 . . . . 0.0 113.672 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.63 -7.13 58.6 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -135.47 -20.05 1.62 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.996 1.718 . . . . 0.0 112.99 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -151.8 145.58 25.07 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.835 1.654 . . . . 0.0 110.545 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -141.27 152.91 44.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.882 1.273 . . . . 0.0 110.935 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.21 -170.76 43.91 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.36 140.67 30.61 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.935 1.694 . . . . 0.0 112.353 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.94 152.48 51.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.215 1.006 . . . . 0.0 112.927 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -142.38 141.39 32.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 110.696 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -151.31 161.35 42.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.388 1.075 . . . . 0.0 111.357 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.62 121.9 44.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.761 1.624 . . . . 0.0 109.797 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.07 174.04 11.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.726 1.61 . . . . 0.0 110.498 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.25 -44.74 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.929 -0.482 . . . . 0.0 110.371 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -152.02 171.19 18.22 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.96 42.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.31 1.444 . . . . 0.0 113.777 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.86 37.96 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.936 1.244 . . . . 0.0 111.717 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -66.18 -47.19 74.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.114 -1.616 . . . . 0.0 111.598 169.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.56 83.82 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.086 -1.009 . . . . 0.0 113.395 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.42 -40.67 97.82 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.813 0.845 . . . . 0.0 110.984 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.4 -46.52 82.94 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.885 0.766 . . . . 0.0 111.972 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.77 -51.67 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.712 1.142 . . . . 0.0 110.923 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -59.9 -40.59 89.29 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -65.79 -29.17 69.62 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.831 -0.604 . . . . 0.0 112.489 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.81 -44.0 91.3 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.333 1.879 . . . . 0.0 112.072 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -79.28 -25.78 42.43 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.22 29.16 5.18 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 -169.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -99.29 115.56 29.44 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.655 -1.278 . . . . 0.0 110.587 169.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 57.09 24.79 10.07 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -58.44 -42.05 86.45 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-O 123.221 1.486 . . . . 0.0 109.645 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.42 30.01 0.03 OUTLIER Glycine 0 N--CA 1.474 1.217 0 C-N-CA 126.74 2.114 . . . . 0.0 114.824 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.02 40.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.193 1.797 . . . . 0.0 110.492 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.98 44.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.378 2.671 . . . . 0.0 113.989 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.3 -170.73 44.12 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 127.116 2.293 . . . . 0.0 113.946 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.39 115.48 19.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.7 1.2 . . . . 0.0 111.895 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -80.02 136.14 36.52 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.453 0.644 . . . . 0.0 110.753 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -138.97 155.15 48.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.928 2.091 . . . . 0.0 109.815 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -141.94 141.58 32.96 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.941 1.246 . . . . 0.0 113.306 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.07 114.6 23.35 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.344 2.258 . . . . 0.0 112.132 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.52 -11.16 58.66 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.92 -24.67 52.44 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -128.91 11.17 6.04 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.156 1.782 . . . . 0.0 115.169 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 53.52 47.36 24.18 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.701 1.601 . . . . 0.0 113.19 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.0 m -133.46 138.8 46.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.838 0.855 . . . . 0.0 111.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -102.86 145.75 29.32 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.957 2.503 . . . . 0.0 109.043 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -127.81 147.15 50.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 110.026 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -132.92 121.88 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.805 1.642 . . . . 0.0 109.121 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -135.01 111.76 10.05 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.734 169.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -74.16 132.42 42.2 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.386 0.675 . . . . 0.0 111.367 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -124.7 159.14 31.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.902 1.681 . . . . 0.0 111.495 170.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -135.02 154.29 51.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.663 1.185 . . . . 0.0 112.646 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.23 130.07 42.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.606 2.362 . . . . 0.0 109.818 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.29 130.64 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.558 1.543 . . . . 0.0 108.81 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.7 tp -112.07 119.71 39.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.313 1.845 . . . . 0.0 109.754 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.3 132.36 56.62 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 172.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.09 -174.34 46.69 Favored Glycine 0 N--CA 1.469 0.888 0 N-CA-C 115.072 0.789 . . . . 0.0 115.072 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -112.53 -34.29 5.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.626 1.57 . . . . 0.0 112.165 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -76.31 -35.03 59.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.226 1.01 . . . . 0.0 112.674 169.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -151.8 152.05 32.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.828 1.651 . . . . 0.0 112.606 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -131.69 155.45 47.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.247 1.819 . . . . 0.0 108.728 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.76 -175.49 43.88 Favored Glycine 0 N--CA 1.476 1.312 0 N-CA-C 117.26 1.664 . . . . 0.0 117.26 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -149.23 132.57 16.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.098 2.159 . . . . 0.0 111.19 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -137.74 166.34 24.22 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 113.318 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 146.02 30.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.325 1.45 . . . . 0.0 111.318 -170.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.407 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -146.26 166.05 27.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.639 1.575 . . . . 0.0 111.125 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -124.81 114.08 18.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.496 1.518 . . . . 0.0 109.652 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.13 163.12 31.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.638 1.575 . . . . 0.0 112.575 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.83 -39.1 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.465 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.28 168.28 26.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.058 1.343 . . . . 0.0 111.307 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.32 38.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.553 1.941 . . . . 0.0 112.424 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.07 68.56 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.871 -1.143 . . . . 0.0 112.489 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -72.69 -45.21 59.97 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.883 -1.136 . . . . 0.0 111.706 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.24 92.93 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.61 -1.306 . . . . 0.0 113.472 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.89 -42.54 98.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.405 0.682 . . . . 0.0 110.898 170.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.04 -49.68 73.63 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.76 -51.57 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.817 1.189 . . . . 0.0 111.367 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.3 m-85 -60.85 -35.42 76.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.13 -24.0 60.55 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -39.04 82.54 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.092 -1.63 . . . . 0.0 112.201 170.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -77.98 -33.49 51.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -118.39 24.32 11.01 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.53 116.33 28.35 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.991 -1.693 . . . . 0.0 111.16 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 t70 54.2 26.42 6.68 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -57.59 -40.99 80.28 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 122.568 1.175 . . . . 0.0 109.562 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.71 -23.66 0.09 OUTLIER Glycine 0 CA--C 1.532 1.153 0 N-CA-C 117.6 1.8 . . . . 0.0 117.6 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.48 -48.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.845 1.323 . . . . 0.0 111.847 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 39.22 40.26 0.5 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.317 1.847 . . . . 0.0 113.536 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.71 -179.97 35.98 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.269 1.414 . . . . 0.0 114.92 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.57 140.69 41.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.841 1.256 . . . . 0.0 111.938 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -107.29 140.06 40.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.447 1.499 . . . . 0.0 112.176 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.98 155.35 48.07 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.412 1.885 . . . . 0.0 109.997 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -142.12 137.41 30.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.835 1.254 . . . . 0.0 111.951 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -118.08 112.49 20.28 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.653 1.981 . . . . 0.0 110.084 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.76 -32.88 62.2 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -10.02 11.7 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 12.9 t -129.2 12.51 6.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.034 1.734 . . . . 0.0 114.299 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 40.66 40.62 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.965 1.706 . . . . 0.0 114.947 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -127.47 137.13 52.6 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -104.91 145.72 30.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.222 2.609 . . . . 0.0 109.401 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.0 m -129.88 137.97 50.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.945 0.898 . . . . 0.0 110.274 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.61 130.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.266 1.826 . . . . 0.0 109.271 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.2 m -134.74 117.12 15.65 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.639 0.776 . . . . 0.0 111.759 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.141 1.776 . . . . 0.0 112.886 176.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.384 0.135 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -84.28 131.86 34.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 111.788 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.82 158.81 32.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.794 2.037 . . . . 0.0 112.122 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.16 153.65 49.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.885 1.274 . . . . 0.0 112.795 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.19 130.39 42.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.204 2.202 . . . . 0.0 110.677 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -111.58 127.02 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.533 1.533 . . . . 0.0 109.465 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -113.57 119.4 37.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.112 1.365 . . . . 0.0 111.688 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.81 125.9 49.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 110.469 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.18 174.54 43.02 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.134 1.35 . . . . 0.0 114.153 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -95.23 -32.21 13.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.469 1.108 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 p -77.86 -48.06 17.32 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.095 0.958 . . . . 0.0 111.881 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -145.86 146.58 31.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.165 1.386 . . . . 0.0 112.095 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -132.04 158.97 40.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.726 2.01 . . . . 0.0 110.556 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.08 -174.34 46.71 Favored Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -148.07 133.17 18.28 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.597 1.959 . . . . 0.0 112.202 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -135.37 161.01 36.63 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.55 141.84 27.4 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.277 1.431 . . . . 0.0 111.842 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -145.62 162.42 37.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.889 1.675 . . . . 0.0 111.426 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.79 122.56 43.73 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.761 1.624 . . . . 0.0 109.72 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.99 166.25 23.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.623 1.569 . . . . 0.0 111.791 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.21 -33.38 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.048 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.83 169.73 22.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.626 1.57 . . . . 0.0 108.709 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.0 44.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.793 1.637 . . . . 0.0 112.669 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.94 62.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.157 1.383 . . . . 0.0 112.304 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -71.48 -41.61 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.641 -1.287 . . . . 0.0 111.585 170.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.93 90.64 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.575 1.08 . . . . 0.0 112.834 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.38 -40.4 94.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.953 0.901 . . . . 0.0 111.28 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -64.66 -45.21 87.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 113.157 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.76 -50.92 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.562 -1.336 . . . . 0.0 111.139 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -58.8 -41.98 88.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.44 -29.77 69.98 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.51 -32.01 73.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.195 -1.565 . . . . 0.0 113.356 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -87.09 -23.33 24.94 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 171.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -124.13 15.16 9.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -169.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -90.39 132.13 35.78 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.715 -1.24 . . . . 0.0 110.494 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.51 12.37 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -57.92 -37.12 73.48 Favored 'General case' 0 CA--C 1.558 1.279 0 O-C-N 120.784 -1.198 . . . . 0.0 112.551 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.46 -29.67 0.19 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.911 1.72 . . . . 0.0 116.929 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.91 -42.15 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.055 1.427 . . . . 0.0 112.826 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 39.12 38.05 0.28 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.738 2.015 . . . . 0.0 114.288 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.79 174.34 49.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.976 1.274 . . . . 0.0 115.85 -169.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.84 131.94 35.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.194 1.798 . . . . 0.0 111.483 172.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -95.69 144.99 25.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.778 1.631 . . . . 0.0 112.796 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.96 153.28 48.17 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.912 1.685 . . . . 0.0 109.943 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -144.35 138.5 27.87 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.909 1.284 . . . . 0.0 112.169 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.0 106.77 13.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.878 2.071 . . . . 0.0 110.238 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -69.23 -27.92 65.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.93 0.892 . . . . 0.0 113.289 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -25.27 59.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.548 1.539 . . . . 0.0 113.8 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.4 p -128.73 8.23 5.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.794 1.638 . . . . 0.0 113.018 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 44.9 35.14 1.4 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.015 2.126 . . . . 0.0 113.051 -175.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.4 m -125.5 135.55 52.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 122.213 1.006 . . . . 0.0 113.001 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -108.74 145.96 34.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 129.36 3.064 . . . . 0.0 109.944 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -131.22 147.39 52.59 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.786 -1.196 . . . . 0.0 111.255 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.28 129.0 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.886 2.074 . . . . 0.0 108.896 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -134.44 129.84 35.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.316 1.046 . . . . 0.0 111.608 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.384 1.874 . . . . 0.0 112.415 -176.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.52 133.16 41.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.971 0.908 . . . . 0.0 112.291 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.63 156.47 37.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.867 1.667 . . . . 0.0 111.482 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -135.55 154.96 51.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.695 1.198 . . . . 0.0 112.795 -172.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -134.36 129.53 35.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.979 2.112 . . . . 0.0 110.916 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -112.92 127.51 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.485 1.514 . . . . 0.0 109.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -106.69 119.66 39.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.553 1.941 . . . . 0.0 110.781 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.85 117.21 27.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.092 0.957 . . . . 0.0 109.753 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.3 172.15 42.2 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -88.71 -31.59 18.39 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.903 1.281 . . . . 0.0 112.628 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -75.14 -49.06 20.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 0.0 111.65 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -142.7 147.89 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.514 1.126 . . . . 0.0 113.013 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -128.46 151.52 49.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.955 1.302 . . . . 0.0 110.104 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.34 -173.37 43.7 Favored Glycine 0 N--CA 1.474 1.232 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -147.35 136.81 22.69 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.585 1.954 . . . . 0.0 112.045 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -136.55 163.22 31.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.172 0.989 . . . . 0.0 113.554 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -145.1 143.75 30.57 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.195 1.398 . . . . 0.0 111.068 -173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -143.26 166.15 25.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.018 1.727 . . . . 0.0 111.771 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -127.9 110.07 12.2 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.437 1.495 . . . . 0.0 110.469 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.18 157.51 42.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.552 1.541 . . . . 0.0 111.82 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.24 -33.79 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.781 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -156.24 169.8 23.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.565 1.946 . . . . 0.0 110.793 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.69 62.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.577 1.151 . . . . 0.0 113.246 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.76 61.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.506 1.122 . . . . 0.0 112.069 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -72.37 -40.83 67.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.211 1.004 . . . . 0.0 111.549 170.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.32 94.21 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.529 -1.357 . . . . 0.0 112.865 170.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.55 -40.11 95.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.549 0.74 . . . . 0.0 112.146 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.5 -44.54 95.88 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.727 0.694 . . . . 0.0 111.952 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.54 -51.33 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.452 -0.78 . . . . 0.0 111.891 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -62.91 -35.79 81.24 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.691 -1.256 . . . . 0.0 113.8 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.78 -20.6 66.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.709 -1.244 . . . . 0.0 113.422 171.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.46 38.66 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.468 1.031 . . . . 0.0 112.637 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -79.44 -26.72 41.73 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.4 26.05 8.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.333 1.453 . . . . 0.0 114.409 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -50.57 -38.7 46.67 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.56 -60.12 0.05 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.489 1.515 . . . . 0.0 111.883 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m120 50.51 29.86 4.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.326 2.251 . . . . 0.0 115.05 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.18 32.71 9.82 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 126.991 2.234 . . . . 0.0 114.287 -170.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 -42.48 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.486 1.914 . . . . 0.0 111.485 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 35.81 46.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.338 2.255 . . . . 0.0 115.069 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.5 165.83 51.67 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.98 0.8 . . . . 0.0 114.983 -171.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.41 118.71 11.83 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 110.889 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -80.9 143.16 32.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.617 0.767 . . . . 0.0 111.783 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.1 m -139.02 156.72 46.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.276 2.23 . . . . 0.0 109.338 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -144.82 142.16 29.73 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.925 1.239 . . . . 0.0 113.3 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -118.16 117.27 28.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.195 2.198 . . . . 0.0 111.106 171.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.54 -25.79 38.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.89 -15.19 62.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.334 4.0 t -129.18 10.3 5.8 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 169.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt 52.26 35.15 16.2 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.458 -1.401 . . . . 0.0 113.416 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.35 133.99 55.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.413 0.625 . . . . 0.0 111.729 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.39 145.7 29.59 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.364 2.266 . . . . 0.0 109.353 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 52.2 m -130.49 142.83 50.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.927 0.891 . . . . 0.0 110.359 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.42 129.23 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.191 1.796 . . . . 0.0 109.165 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -134.56 126.75 29.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.851 0.86 . . . . 0.0 111.508 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.917 1.687 . . . . 0.0 112.378 178.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.13 136.48 44.84 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.94 0.896 . . . . 0.0 111.695 173.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.96 159.23 31.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.471 1.908 . . . . 0.0 111.248 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -133.88 155.17 50.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.721 1.208 . . . . 0.0 113.051 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.47 124.46 27.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.888 2.475 . . . . 0.0 110.463 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -101.53 125.67 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.242 1.417 . . . . 0.0 109.448 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 tp -110.28 114.44 27.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.652 1.181 . . . . 0.0 111.74 -173.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.29 130.98 54.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.471 1.508 . . . . 0.0 108.836 169.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.24 171.04 44.0 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 115.76 1.064 . . . . 0.0 115.76 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -77.25 -21.01 54.37 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.14 -19.08 6.13 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.381 1.472 . . . . 0.0 114.433 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -151.49 145.95 25.55 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.02 1.328 . . . . 0.0 111.429 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -137.99 156.06 48.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 109.977 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.31 -163.84 35.22 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -143.94 141.94 30.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.384 1.474 . . . . 0.0 112.656 171.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -138.11 160.54 39.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.369 1.067 . . . . 0.0 113.601 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -143.83 140.94 30.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.245 1.418 . . . . 0.0 110.863 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.4 t -145.03 166.16 26.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 0.0 110.509 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -117.16 127.42 54.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.576 1.55 . . . . 0.0 110.788 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 167.49 21.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.627 1.571 . . . . 0.0 111.558 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.28 -42.72 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.82 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -149.98 168.16 24.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.298 1.439 . . . . 0.0 112.973 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.01 53.54 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.803 1.241 . . . . 0.0 113.213 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.58 61.49 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.099 -1.001 . . . . 0.0 111.326 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -66.52 -47.57 72.52 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.686 -1.258 . . . . 0.0 112.143 170.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.53 83.53 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.639 -1.288 . . . . 0.0 113.595 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.493 0.717 . . . . 0.0 110.714 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.78 -48.8 75.45 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.643 0.656 . . . . 0.0 112.212 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.42 -50.41 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.602 1.092 . . . . 0.0 111.387 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.3 m-85 -60.97 -37.48 82.56 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.67 -23.5 65.33 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.46 78.51 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.157 -1.59 . . . . 0.0 113.415 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -86.6 -23.83 25.6 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -127.67 111.17 13.42 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.037 1.335 . . . . 0.0 111.75 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -171.66 -155.76 0.1 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.766 2.027 . . . . 0.0 109.842 -169.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.09 -6.31 0.06 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.913 2.485 . . . . 0.0 117.184 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -61.0 -35.72 77.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.285 0.634 . . . . 0.0 112.628 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.04 0.17 0.03 OUTLIER Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.76 65.37 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.542 1.537 . . . . 0.0 113.049 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -75.82 48.43 0.47 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.304 1.841 . . . . 0.0 108.84 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.43 -166.87 21.1 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 126.971 2.224 . . . . 0.0 117.475 -169.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.41 146.82 51.74 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.416 1.486 . . . . 0.0 111.661 175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -121.21 133.26 55.16 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.547 1.155 . . . . 0.0 114.087 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 t -139.26 166.71 23.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.773 0.829 . . . . 0.0 111.467 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -149.81 139.42 21.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.985 1.314 . . . . 0.0 112.776 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -118.03 101.47 8.28 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.007 2.123 . . . . 0.0 110.271 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.23 -33.19 74.96 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.02 -20.04 8.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.277 1.431 . . . . 0.0 114.546 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -128.82 8.76 5.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.088 1.755 . . . . 0.0 113.509 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 44.87 46.71 9.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.162 1.385 . . . . 0.0 114.173 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -125.6 136.25 53.06 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.594 0.711 . . . . 0.0 112.656 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -104.19 145.8 29.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.597 2.759 . . . . 0.0 109.62 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -125.72 147.05 49.49 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.741 -0.599 . . . . 0.0 110.502 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -130.42 127.26 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.892 1.677 . . . . 0.0 109.744 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -134.96 139.89 45.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 127.634 2.374 . . . . 0.0 109.846 169.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.12 131.61 35.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.637 0.775 . . . . 0.0 112.269 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -124.66 159.91 29.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.732 2.013 . . . . 0.0 111.656 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -135.49 155.16 50.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.527 1.131 . . . . 0.0 113.054 -173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.04 114.93 13.72 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.565 2.346 . . . . 0.0 110.607 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -95.55 125.99 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.902 1.281 . . . . 0.0 109.025 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -110.45 119.55 39.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.047 1.739 . . . . 0.0 110.263 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.88 129.69 54.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.613 1.165 . . . . 0.0 109.379 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.47 -171.47 43.77 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.12 0.866 . . . . 0.0 114.565 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -111.98 -34.93 5.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.823 1.249 . . . . 0.0 113.676 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 36.4 p -74.44 -34.59 63.24 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.25 -0.906 . . . . 0.0 112.781 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 147.06 26.28 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.303 1.441 . . . . 0.0 112.713 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -133.17 150.3 52.01 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.117 1.367 . . . . 0.0 109.838 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.61 44.26 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -145.47 131.86 19.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.947 2.099 . . . . 0.0 110.286 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.3 p -137.15 160.98 37.4 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.939 0.896 . . . . 0.0 112.352 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.49 143.97 29.32 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.03 1.332 . . . . 0.0 111.3 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -143.38 166.14 25.59 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.411 1.884 . . . . 0.0 111.91 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.74 111.23 13.45 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.254 1.422 . . . . 0.0 110.59 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.84 166.57 18.81 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.994 1.718 . . . . 0.0 112.204 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.15 -36.82 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -151.27 163.58 38.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.766 2.027 . . . . 0.0 108.795 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.62 -25.45 7.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.192 1.397 . . . . 0.0 113.786 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.48 71.01 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.658 1.583 . . . . 0.0 111.922 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -72.43 -40.7 66.91 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.183 -0.948 . . . . 0.0 111.322 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.3 89.95 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.643 -1.286 . . . . 0.0 113.979 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.92 -32.73 67.66 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.84 -47.09 87.94 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 118.933 0.788 . . . . 0.0 111.606 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.81 -52.54 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 121.239 -0.913 . . . . 0.0 111.754 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.95 -39.05 73.82 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 112.743 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.21 -20.39 63.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.57 -38.01 89.55 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.199 1.363 . . . . 0.0 112.581 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.95 -26.21 27.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.791 1.236 . . . . 0.0 113.91 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.66 28.06 8.54 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -63.31 73.02 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 127.379 2.272 . . . . 0.0 113.544 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 66.6 -59.68 0.35 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.818 2.847 . . . . 0.0 111.768 -169.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 38.88 37.6 0.22 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 169.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.05 10.66 71.36 Favored Glycine 0 N--CA 1.474 1.226 0 O-C-N 119.366 -2.084 . . . . 0.0 115.783 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.91 -41.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 118.584 1.192 . . . . 0.0 113.659 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 39.81 34.23 0.16 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.408 2.283 . . . . 0.0 116.333 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.49 165.0 47.73 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.464 1.031 . . . . 0.0 115.442 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.26 127.06 31.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.457 1.503 . . . . 0.0 110.422 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -90.47 140.79 29.39 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.752 0.821 . . . . 0.0 111.133 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -138.75 153.81 48.49 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.055 2.142 . . . . 0.0 109.114 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -143.16 139.14 30.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.174 1.352 . . . . 0.0 112.344 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.05 113.13 21.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.654 1.982 . . . . 0.0 109.794 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.98 -38.16 75.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.333 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.89 -11.24 7.28 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.722 . . . . 0.0 115.244 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -129.37 12.41 5.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.621 1.568 . . . . 0.0 114.395 169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 39.44 40.52 0.59 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.366 1.867 . . . . 0.0 115.046 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.6 m -125.91 136.09 52.64 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.69 -0.631 . . . . 0.0 112.161 -170.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.07 145.64 28.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.972 2.109 . . . . 0.0 109.426 173.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -127.38 137.79 52.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 110.026 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.43 127.14 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.228 1.411 . . . . 0.0 109.197 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -134.89 137.12 42.91 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.198 0.999 . . . . 0.0 112.001 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.439 170.1 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.399 0.142 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.95 132.93 44.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.874 0.87 . . . . 0.0 111.048 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.71 156.15 38.1 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.893 1.677 . . . . 0.0 111.443 170.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -135.59 155.31 50.66 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.468 1.107 . . . . 0.0 113.212 -172.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.63 134.08 40.82 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.182 2.193 . . . . 0.0 111.149 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -116.18 120.14 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.629 1.572 . . . . 0.0 109.939 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -99.21 119.46 37.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.08 1.752 . . . . 0.0 111.189 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.87 140.64 49.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.98 1.312 . . . . 0.0 110.187 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.67 178.61 45.62 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.035 0.826 . . . . 0.0 114.229 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -96.11 -37.03 10.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.291 1.436 . . . . 0.0 111.683 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 m -83.52 -29.8 27.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.342 1.457 . . . . 0.0 113.005 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -151.86 149.21 28.72 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.455 1.102 . . . . 0.0 112.475 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -135.89 155.61 50.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.331 1.453 . . . . 0.0 109.107 169.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.74 -172.83 43.85 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.15 136.64 24.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.154 1.782 . . . . 0.0 112.455 177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 p -134.65 160.06 39.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.143 0.977 . . . . 0.0 113.405 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.4 28.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.936 1.294 . . . . 0.0 110.857 -173.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.73 166.08 25.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.032 1.733 . . . . 0.0 111.361 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.06 117.99 26.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.993 1.717 . . . . 0.0 109.211 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.14 166.4 23.48 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.065 1.346 . . . . 0.0 111.249 -170.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -75.16 -25.59 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.402 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -163.32 165.09 24.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.599 1.56 . . . . 0.0 108.385 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -29.65 61.19 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.565 1.546 . . . . 0.0 112.506 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.7 52.31 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.244 1.417 . . . . 0.0 111.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 m -65.54 -46.05 81.04 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.596 -1.315 . . . . 0.0 112.197 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.43 91.47 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.175 -0.953 . . . . 0.0 113.052 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.12 -41.38 96.59 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.088 0.555 . . . . 0.0 111.408 171.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.36 -47.24 80.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.338 0.972 . . . . 0.0 112.665 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -55.81 -51.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.313 0.96 . . . . 0.0 110.552 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -59.32 -39.63 83.69 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.57 -22.83 67.08 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.25 -42.54 79.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.112 -1.618 . . . . 0.0 112.748 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -84.0 -19.83 33.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.682 1.193 . . . . 0.0 114.138 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -130.5 108.39 9.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.118 1.367 . . . . 0.0 112.394 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -171.17 -157.11 0.12 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.287 2.235 . . . . 0.0 109.925 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.06 -3.6 0.85 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -55.82 -34.18 65.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.481 0.712 . . . . 0.0 112.09 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.59 -15.98 0.02 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 117.781 1.873 . . . . 0.0 117.781 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.17 -50.48 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 119.281 1.541 . . . . 0.0 115.028 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 35.56 42.72 0.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.884 2.074 . . . . 0.0 114.33 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.19 172.57 54.73 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 116.33 1.292 . . . . 0.0 116.33 -169.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.55 116.06 13.69 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.741 1.616 . . . . 0.0 110.329 170.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -80.44 142.35 34.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.013 0.925 . . . . 0.0 112.194 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -138.95 153.07 48.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.025 2.13 . . . . 0.0 109.202 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -144.03 134.6 24.82 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.356 1.063 . . . . 0.0 112.391 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -118.16 102.24 8.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.693 1.997 . . . . 0.0 110.75 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.78 -31.18 71.65 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -19.85 15.05 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 114.018 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -128.79 12.73 6.31 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.829 2.052 . . . . 0.0 112.87 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 41.45 43.38 2.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.346 1.858 . . . . 0.0 114.765 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.9 m -129.75 137.46 50.56 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.816 0.817 . . . . 0.0 112.271 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.46 145.61 28.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.192 2.597 . . . . 0.0 110.074 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -129.17 141.0 51.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.035 0.934 . . . . 0.0 109.913 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.0 t -132.61 129.45 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.392 1.477 . . . . 0.0 109.402 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.9 m -134.68 138.83 44.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.539 1.135 . . . . 0.0 111.881 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 124.421 1.088 . . . . 0.0 112.119 173.296 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.48 132.63 40.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.427 0.691 . . . . 0.0 111.184 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.62 155.9 38.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.892 1.677 . . . . 0.0 111.303 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -135.44 155.21 50.91 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.485 1.114 . . . . 0.0 112.607 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.01 136.88 50.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.879 2.471 . . . . 0.0 110.04 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mt -117.8 118.4 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.772 1.629 . . . . 0.0 109.262 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 40.8 tp -97.5 119.59 36.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.57 1.948 . . . . 0.0 110.435 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.01 137.25 54.2 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.841 0.856 . . . . 0.0 108.718 169.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.08 171.84 40.26 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 114.909 0.724 . . . . 0.0 114.909 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -78.93 -29.06 43.9 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.29 1.436 . . . . 0.0 114.061 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -104.06 -24.23 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.329 1.452 . . . . 0.0 113.975 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.57 146.15 25.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.168 1.387 . . . . 0.0 113.025 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.95 150.95 50.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.44 1.096 . . . . 0.0 110.361 169.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -171.46 43.44 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.275 1.27 . . . . 0.0 116.275 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -147.56 142.86 27.31 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.032 1.733 . . . . 0.0 112.696 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -136.83 157.5 46.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.265 1.026 . . . . 0.0 113.219 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -142.8 141.68 31.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.922 1.289 . . . . 0.0 111.317 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -145.24 166.19 26.2 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.835 2.054 . . . . 0.0 111.528 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -128.38 118.34 23.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.954 1.302 . . . . 0.0 111.126 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.66 166.87 21.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.653 1.581 . . . . 0.0 111.754 -170.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.61 -34.8 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.072 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.83 167.51 29.43 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.187 1.795 . . . . 0.0 110.484 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -35.17 51.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.91 1.684 . . . . 0.0 112.713 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.57 63.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.706 1.202 . . . . 0.0 112.906 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -75.15 -41.21 58.75 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.437 -0.79 . . . . 0.0 111.142 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.42 98.89 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.865 -1.147 . . . . 0.0 112.868 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.23 -43.22 87.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.548 1.139 . . . . 0.0 111.047 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.34 -46.77 85.06 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.34 -47.95 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.464 1.029 . . . . 0.0 111.816 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.93 -41.75 98.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.052 -1.03 . . . . 0.0 112.883 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.67 -25.87 64.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -64.95 -43.42 92.77 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.361 -0.837 . . . . 0.0 112.674 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -75.36 -50.09 17.01 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.267 0.94 . . . . 0.0 112.676 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -85.13 30.05 0.62 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.721 1.608 . . . . 0.0 113.789 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.27 79.21 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 128.373 2.669 . . . . 0.0 114.011 173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 68.88 -66.84 0.23 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.732 2.813 . . . . 0.0 114.379 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 45.37 28.49 0.47 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.49 2.316 . . . . 0.0 115.838 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.55 29.97 18.88 Favored Glycine 0 CA--C 1.545 1.926 0 C-N-CA 128.086 2.755 . . . . 0.0 114.656 -171.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.99 -38.32 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.531 1.932 . . . . 0.0 110.638 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 32.63 44.6 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.734 2.814 . . . . 0.0 116.291 169.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.15 167.12 43.55 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.62 119.69 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.281 1.432 . . . . 0.0 110.013 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -81.28 137.93 35.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.365 0.666 . . . . 0.0 110.907 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -138.88 155.41 48.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.761 2.024 . . . . 0.0 108.752 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -143.14 138.72 29.99 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.523 1.129 . . . . 0.0 112.536 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.22 109.45 16.37 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.425 1.89 . . . . 0.0 110.334 170.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.77 -37.13 85.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.032 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -11.24 18.75 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.23 12.44 6.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.987 1.715 . . . . 0.0 114.291 170.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.61 40.88 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.044 1.738 . . . . 0.0 115.035 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 93.4 m -126.88 138.19 53.27 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.524 0.678 . . . . 0.0 112.556 -170.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -104.53 145.82 29.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.259 2.624 . . . . 0.0 110.045 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -129.73 142.83 50.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.179 0.991 . . . . 0.0 110.321 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.1 t -130.06 120.84 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.159 1.784 . . . . 0.0 108.982 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.2 m -135.06 139.85 45.09 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.474 1.11 . . . . 0.0 111.487 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 119.406 1.003 . . . . 0.0 111.008 169.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.503 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 22.9 ptp . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 111.517 0.192 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.15 135.16 44.65 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.118 0.967 . . . . 0.0 111.927 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -124.91 159.17 31.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.288 1.835 . . . . 0.0 111.615 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -135.45 154.33 51.47 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.691 1.196 . . . . 0.0 113.186 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -133.25 126.83 32.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.713 2.405 . . . . 0.0 110.758 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.57 129.99 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.602 1.561 . . . . 0.0 109.535 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.7 tp -111.69 119.68 39.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.213 1.405 . . . . 0.0 111.567 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.68 139.27 51.24 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.45 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.05 -177.04 41.34 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.528 1.537 . . . . 0.0 114.337 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -107.81 -1.17 21.11 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.221 1.408 . . . . 0.0 113.447 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 m -138.24 -20.62 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.095 1.758 . . . . 0.0 112.75 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -151.68 144.11 24.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.496 1.518 . . . . 0.0 110.843 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -140.38 155.9 46.59 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.696 1.598 . . . . 0.0 110.801 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.69 -172.18 45.21 Favored Glycine 0 N--CA 1.473 1.147 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -146.69 140.92 26.3 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.339 1.856 . . . . 0.0 111.804 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 p -138.89 159.32 42.41 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -139.67 143.11 36.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.334 1.454 . . . . 0.0 110.828 -176.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.455 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -144.86 165.85 26.94 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.639 1.575 . . . . 0.0 110.883 -177.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.6 120.95 35.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.724 1.61 . . . . 0.0 110.268 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 165.63 25.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.376 1.471 . . . . 0.0 111.112 -173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -66.43 -44.07 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p30 -149.91 166.93 28.1 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.331 1.452 . . . . 0.0 113.762 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.77 19.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.833 1.653 . . . . 0.0 113.777 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -41.86 41.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.059 1.344 . . . . 0.0 110.548 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -68.35 -47.96 66.1 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.65 -1.281 . . . . 0.0 112.122 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.47 76.15 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.708 -1.245 . . . . 0.0 113.938 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -75.49 -28.8 59.33 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.596 170.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -65.28 -41.33 94.29 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.883 1.219 . . . . 0.0 111.573 170.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.2 -52.22 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.843 -1.16 . . . . 0.0 110.929 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.9 m-85 -62.4 -32.15 72.93 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -62.12 -27.71 69.13 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.808 0.731 . . . . 0.0 112.595 170.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -41.17 66.04 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.18 -1.575 . . . . 0.0 112.532 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -81.27 -26.21 35.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -131.36 117.08 18.41 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.93 1.292 . . . . 0.0 112.497 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.43 -151.86 0.05 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 126.412 1.885 . . . . 0.0 111.095 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.56 -6.58 3.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.699 2.799 . . . . 0.0 116.247 172.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -49.44 -40.73 37.77 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.858 0.863 . . . . 0.0 111.812 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.2 -39.6 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 116.796 1.479 . . . . 0.0 116.796 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.22 -47.22 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.71 1.255 . . . . 0.0 113.664 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 37.46 38.58 0.14 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.391 1.876 . . . . 0.0 114.749 -172.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.01 44.89 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.025 1.298 . . . . 0.0 115.896 -169.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.5 120.57 22.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.329 1.451 . . . . 0.0 112.008 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -83.04 144.67 29.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.227 1.011 . . . . 0.0 113.536 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -138.79 153.25 48.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.409 1.884 . . . . 0.0 109.955 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -141.37 140.29 33.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.688 1.195 . . . . 0.0 113.095 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -117.92 118.8 32.97 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.784 2.434 . . . . 0.0 111.576 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -82.61 -31.88 28.64 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.16 -0.962 . . . . 0.0 113.098 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.6 -24.04 54.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.935 0.894 . . . . 0.0 112.79 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.2 p -128.77 2.98 5.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.988 1.715 . . . . 0.0 113.514 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 45.4 mmtm 53.71 39.37 30.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.376 1.47 . . . . 0.0 112.234 175.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -125.07 137.7 54.2 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.637 -169.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.95 145.74 34.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.243 2.617 . . . . 0.0 109.23 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.3 m -127.55 146.86 50.38 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.684 0.794 . . . . 0.0 110.428 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.95 128.98 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.668 1.987 . . . . 0.0 108.411 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.76 111.78 10.22 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 126.409 1.883 . . . . 0.0 113.578 177.549 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -73.08 131.39 42.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.902 0.881 . . . . 0.0 111.514 174.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.68 159.34 31.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.752 1.621 . . . . 0.0 111.74 171.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -134.89 153.03 52.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.548 1.139 . . . . 0.0 112.828 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.38 133.15 44.99 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.257 2.223 . . . . 0.0 110.172 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.17 125.59 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.736 1.615 . . . . 0.0 108.421 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.56 119.38 37.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.927 1.691 . . . . 0.0 109.223 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.4 121.54 38.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.795 1.238 . . . . 0.0 109.817 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.37 166.29 35.24 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.472 1.034 . . . . 0.0 114.421 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -73.8 -35.37 64.88 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 0.0 113.729 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.6 p -90.86 -34.07 15.4 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.422 1.089 . . . . 0.0 113.426 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 tt -147.29 143.21 27.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.156 1.382 . . . . 0.0 112.044 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -135.44 152.47 51.42 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.345 1.458 . . . . 0.0 111.13 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.05 -174.64 46.67 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.166 1.226 . . . . 0.0 116.166 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.51 140.2 23.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.756 2.023 . . . . 0.0 111.389 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -139.29 164.14 30.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.297 1.039 . . . . 0.0 113.362 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -142.18 144.92 33.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.405 1.482 . . . . 0.0 110.932 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.442 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -143.63 166.17 25.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.314 1.846 . . . . 0.0 111.186 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -128.69 114.67 16.92 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.113 1.365 . . . . 0.0 110.398 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.88 166.25 22.74 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.74 1.616 . . . . 0.0 111.193 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.73 -39.73 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.344 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -154.18 171.62 18.89 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.003 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -29.44 41.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.226 1.81 . . . . 0.0 113.088 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.33 57.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.106 0.963 . . . . 0.0 111.868 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -71.41 -44.85 64.13 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.735 -1.228 . . . . 0.0 111.326 171.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.53 86.05 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.856 -1.153 . . . . 0.0 113.524 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.55 -42.49 99.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.367 0.667 . . . . 0.0 111.153 170.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.28 -49.51 75.39 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 122.01 -0.431 . . . . 0.0 112.018 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.38 -51.72 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.185 0.994 . . . . 0.0 111.32 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.5 m-85 -59.07 -36.21 74.69 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.48 -20.38 62.08 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 172.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.05 -45.16 74.67 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.659 -1.275 . . . . 0.0 112.17 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.59 -40.28 50.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.315 1.046 . . . . 0.0 113.26 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -110.97 30.97 6.39 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.7 -40.28 69.02 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -159.51 -60.1 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.578 1.951 . . . . 0.0 110.192 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 66.22 -77.62 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.817 3.247 . . . . 0.0 111.44 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.28 11.12 0.32 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.282 1.42 . . . . 0.0 115.565 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.54 -26.03 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -171.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 40.04 45.3 1.62 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.646 1.579 . . . . 0.0 113.835 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 158.07 41.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.966 0.793 . . . . 0.0 114.791 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.74 125.39 26.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.386 1.475 . . . . 0.0 110.519 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -89.61 138.18 31.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.61 0.764 . . . . 0.0 111.597 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.7 m -138.72 152.23 47.82 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.842 2.057 . . . . 0.0 109.288 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -144.34 138.92 28.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.09 1.314 . . . . 0.0 111.935 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -118.01 111.98 19.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.633 1.973 . . . . 0.0 109.538 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -70.31 -36.79 74.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.947 1.299 . . . . 0.0 112.466 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.81 14.93 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -129.52 12.66 5.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.534 1.534 . . . . 0.0 114.795 169.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt 42.59 39.55 1.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -126.11 136.89 53.44 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -106.92 145.62 31.99 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.596 2.358 . . . . 0.0 109.296 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 45.0 m -132.06 135.44 46.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.433 1.093 . . . . 0.0 110.062 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.14 120.23 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.71 1.604 . . . . 0.0 108.834 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.9 m -134.89 139.98 45.42 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.469 1.108 . . . . 0.0 112.752 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 117.927 -1.035 . . . . 0.0 111.54 169.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.49 134.54 43.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.001 0.92 . . . . 0.0 111.708 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.84 158.08 34.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.434 1.894 . . . . 0.0 111.222 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -134.48 154.73 51.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.737 1.215 . . . . 0.0 112.899 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.63 126.43 29.16 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.478 2.311 . . . . 0.0 110.678 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -105.01 124.51 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.088 1.355 . . . . 0.0 109.44 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.2 tp -108.07 119.29 39.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.913 1.285 . . . . 0.0 111.455 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.83 126.1 50.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.097 1.359 . . . . 0.0 110.065 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.12 174.65 44.85 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.535 1.064 . . . . 0.0 114.776 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmpt? -91.08 -30.25 16.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.116 1.366 . . . . 0.0 112.972 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -99.64 -21.31 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.18 1.792 . . . . 0.0 114.031 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.51 141.43 22.02 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.566 1.546 . . . . 0.0 111.694 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.39 136.05 32.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.349 1.46 . . . . 0.0 110.241 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.78 -170.97 43.07 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.14 133.12 21.32 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.632 1.973 . . . . 0.0 111.437 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -134.57 162.48 32.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.176 0.99 . . . . 0.0 113.398 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.43 143.56 29.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.855 1.262 . . . . 0.0 111.335 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -144.32 165.84 26.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -121.89 124.06 43.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.164 1.386 . . . . 0.0 110.492 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.27 164.95 26.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.983 1.713 . . . . 0.0 111.334 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.5 -38.7 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.357 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -152.59 168.97 23.84 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 111.76 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.9 -28.9 54.11 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.81 1.244 . . . . 0.0 113.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.57 56.82 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.423 1.089 . . . . 0.0 111.483 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 m -69.47 -43.65 72.78 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.686 -1.259 . . . . 0.0 111.667 170.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.04 86.57 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.545 -1.347 . . . . 0.0 112.896 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -43.23 97.65 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.146 0.579 . . . . 0.0 110.55 169.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.56 -49.69 74.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.358 0.527 . . . . 0.0 111.588 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.25 -51.54 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.339 -0.85 . . . . 0.0 111.689 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -61.76 -38.05 86.55 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -68.06 -29.51 68.49 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.921 -0.487 . . . . 0.0 112.166 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.71 -37.59 87.94 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 119.736 -1.853 . . . . 0.0 112.332 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.48 -27.12 22.86 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -139.29 23.44 2.54 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 119.677 3.214 . . . . 0.0 119.677 -169.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -95.65 -37.72 10.69 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 119.089 -2.257 . . . . 0.0 114.275 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -143.38 9.83 1.64 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 -169.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.07 -28.26 69.34 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.934 -1.104 . . . . 0.0 111.806 170.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.01 -18.11 0.05 OUTLIER Glycine 0 N--CA 1.476 1.346 0 N-CA-C 117.638 1.815 . . . . 0.0 117.638 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.82 -54.79 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 117.912 0.856 . . . . 0.0 112.33 -173.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 39.24 37.86 0.29 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.407 1.883 . . . . 0.0 114.424 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.07 -176.97 40.78 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.386 1.47 . . . . 0.0 115.032 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.6 125.65 32.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.939 1.296 . . . . 0.0 112.251 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -92.56 144.85 24.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.163 1.385 . . . . 0.0 113.422 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 m -139.0 156.04 47.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.346 1.858 . . . . 0.0 110.174 172.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -144.36 137.29 27.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.534 1.133 . . . . 0.0 113.12 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -118.32 103.27 9.65 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.857 2.063 . . . . 0.0 111.233 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.03 -34.85 73.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.987 1.315 . . . . 0.0 113.636 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.25 -21.67 35.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.617 1.167 . . . . 0.0 114.136 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -128.98 12.63 6.19 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.583 1.953 . . . . 0.0 112.948 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 40.37 44.82 1.73 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.168 1.787 . . . . 0.0 114.665 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -127.71 134.62 49.56 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.882 0.849 . . . . 0.0 112.488 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -101.09 145.82 28.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.029 2.932 . . . . 0.0 109.666 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.6 m -125.22 146.36 49.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.733 0.813 . . . . 0.0 110.383 171.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -133.17 127.6 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.127 1.771 . . . . 0.0 109.93 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -134.65 111.69 10.21 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 113.372 176.579 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.55 133.89 42.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.686 0.794 . . . . 0.0 111.2 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.64 160.46 28.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 111.639 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -135.48 153.36 51.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.977 1.311 . . . . 0.0 112.212 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.39 111.02 10.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.747 2.019 . . . . 0.0 110.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mt -87.79 126.28 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.881 1.272 . . . . 0.0 108.607 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.2 tp -113.65 119.65 38.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 110.002 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.86 139.15 52.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.1 -178.6 37.02 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.135 1.35 . . . . 0.0 114.164 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -106.4 5.57 29.59 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.538 1.535 . . . . 0.0 113.736 -176.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.2 m -143.06 -41.71 0.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.913 1.685 . . . . 0.0 111.779 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -138.55 143.25 39.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.962 1.305 . . . . 0.0 111.146 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.27 162.13 33.02 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.615 1.966 . . . . 0.0 110.506 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.61 -170.49 43.13 Favored Glycine 0 N--CA 1.473 1.145 0 N-CA-C 116.552 1.381 . . . . 0.0 116.552 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -144.38 128.29 17.42 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.052 2.141 . . . . 0.0 110.337 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.8 p -133.44 166.32 22.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.127 0.971 . . . . 0.0 112.803 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.22 143.99 29.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.119 1.368 . . . . 0.0 111.752 -169.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -148.09 166.24 28.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.843 1.657 . . . . 0.0 111.204 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -124.58 124.56 42.5 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.675 1.19 . . . . 0.0 111.64 170.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.6 31.4 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 126.417 1.887 . . . . 0.0 112.0 -171.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.1 -38.02 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.458 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -155.07 170.37 21.94 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.726 1.61 . . . . 0.0 110.307 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.89 34.16 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.304 1.842 . . . . 0.0 112.957 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.71 71.4 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.92 1.688 . . . . 0.0 112.331 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -79.28 -39.04 33.96 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.29 -0.881 . . . . 0.0 111.304 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.05 94.2 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.539 -1.351 . . . . 0.0 113.944 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.78 -31.66 69.72 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.84 -44.3 93.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.049 0.84 . . . . 0.0 112.382 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -50.6 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 120.438 -1.414 . . . . 0.0 111.887 173.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.1 -38.36 86.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 113.301 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.88 -22.51 60.75 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.15 -0.969 . . . . 0.0 113.28 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -67.68 -35.92 79.73 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.76 1.164 . . . . 0.0 112.827 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.76 -37.93 39.95 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.81 27.89 9.12 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -58.26 -54.69 44.14 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -164.82 22.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.523 1.929 . . . . 0.0 114.219 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -59.62 -34.06 72.3 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.19 -31.98 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 N-CA-C 117.039 1.576 . . . . 0.0 117.039 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -67.9 -48.4 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 118.903 1.351 . . . . 0.0 113.419 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 37.74 39.36 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.495 1.918 . . . . 0.0 114.353 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.33 173.72 51.82 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.673 1.13 . . . . 0.0 115.669 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.74 120.05 18.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.326 1.451 . . . . 0.0 110.784 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -85.36 139.96 31.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.934 0.894 . . . . 0.0 111.719 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 m -138.86 154.91 48.46 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.404 2.282 . . . . 0.0 109.723 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -144.58 143.25 30.71 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.087 1.312 . . . . 0.0 112.998 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.06 119.2 34.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.535 2.334 . . . . 0.0 111.237 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.61 -26.69 32.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.299 -0.875 . . . . 0.0 113.318 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.26 -18.67 65.3 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -128.88 2.22 5.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.768 -1.56 . . . . 0.0 114.55 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt 50.74 36.12 13.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.626 1.57 . . . . 0.0 112.453 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.95 134.56 54.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.367 -170.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.12 145.69 29.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.922 2.089 . . . . 0.0 109.364 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -128.3 138.69 52.52 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.822 0.849 . . . . 0.0 110.351 173.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.73 130.51 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.801 1.641 . . . . 0.0 108.93 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.6 m -134.67 137.07 43.27 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.296 0.638 . . . . 0.0 112.25 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 C--O 1.248 0.997 0 C-N-CA 128.488 2.715 . . . . 0.0 108.781 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -80.77 135.59 36.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.737 0.815 . . . . 0.0 111.995 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.93 159.36 31.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.033 2.133 . . . . 0.0 111.276 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -135.52 155.21 50.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.304 1.042 . . . . 0.0 113.322 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -134.56 129.83 35.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.941 2.496 . . . . 0.0 110.15 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -112.82 126.54 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.106 1.362 . . . . 0.0 109.78 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.3 tp -106.67 119.39 39.18 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.468 1.507 . . . . 0.0 111.355 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.6 135.96 54.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.214 1.405 . . . . 0.0 110.41 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.28 -175.99 46.03 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -109.75 -35.31 6.22 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.379 1.472 . . . . 0.0 111.972 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 m -77.63 -34.25 53.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.704 1.201 . . . . 0.0 112.263 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.72 149.46 29.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.151 1.381 . . . . 0.0 111.648 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -136.87 155.48 49.72 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.666 1.586 . . . . 0.0 109.509 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.17 -169.35 40.32 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.782 1.473 . . . . 0.0 116.782 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -144.24 142.63 30.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.352 1.861 . . . . 0.0 111.692 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -137.83 155.5 48.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.927 0.891 . . . . 0.0 113.377 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.49 140.09 25.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.831 1.252 . . . . 0.0 110.684 -171.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -152.72 163.55 39.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.66 1.184 . . . . 0.0 111.612 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.05 124.22 51.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.076 1.751 . . . . 0.0 110.512 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 165.11 26.5 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.557 1.543 . . . . 0.0 111.752 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.07 -40.55 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -152.03 169.7 21.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.582 1.553 . . . . 0.0 110.881 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.4 35.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.483 1.913 . . . . 0.0 112.704 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.71 -37.76 65.06 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.892 1.277 . . . . 0.0 112.217 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 m -70.93 -43.6 67.88 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.645 -1.285 . . . . 0.0 112.262 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.48 89.94 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.794 -1.191 . . . . 0.0 113.014 171.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.311 0.645 . . . . 0.0 110.908 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -65.96 -45.69 80.85 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.169 0.895 . . . . 0.0 113.204 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.6 -49.16 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.33 -1.481 . . . . 0.0 111.528 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.53 -41.7 94.98 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -67.83 -27.29 66.58 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.295 -0.878 . . . . 0.0 112.657 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.95 -32.41 73.88 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 119.574 -1.954 . . . . 0.0 112.829 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -91.51 -13.46 32.1 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -138.49 22.89 2.73 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -58.06 -70.51 0.14 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.31 23.21 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.111 2.164 . . . . 0.0 112.951 -174.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -57.72 -38.54 75.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.789 0.836 . . . . 0.0 112.665 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.75 -35.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 116.603 1.401 . . . . 0.0 116.603 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.35 -46.34 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.802 1.301 . . . . 0.0 113.016 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.32 41.11 0.22 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.565 1.946 . . . . 0.0 113.831 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.38 174.84 38.74 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 116.491 1.356 . . . . 0.0 116.491 -169.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.05 115.07 17.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.129 1.371 . . . . 0.0 110.611 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -80.23 140.82 36.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.943 0.897 . . . . 0.0 111.712 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.97 152.2 47.49 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.633 1.973 . . . . 0.0 109.769 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -143.23 135.9 27.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.401 1.08 . . . . 0.0 112.401 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -118.1 101.57 8.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.006 2.122 . . . . 0.0 110.399 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.1 -33.45 76.05 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.03 13.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.98 1.312 . . . . 0.0 114.233 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -128.82 12.74 6.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 42.16 44.89 3.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.256 1.822 . . . . 0.0 114.441 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -130.95 139.21 50.01 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.92 0.867 . . . . 0.0 112.724 -172.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.91 145.77 30.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.868 2.867 . . . . 0.0 109.571 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 m -129.64 142.75 50.67 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.987 0.915 . . . . 0.0 109.824 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.11 131.02 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.474 1.509 . . . . 0.0 109.977 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.76 139.66 45.32 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.703 1.201 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 124.891 1.276 . . . . 0.0 111.852 177.22 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.05 132.84 43.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.785 0.834 . . . . 0.0 111.341 172.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.55 155.7 38.59 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.867 1.667 . . . . 0.0 111.345 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -134.72 150.8 50.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.573 1.149 . . . . 0.0 112.017 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -128.43 126.58 40.86 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.2 2.2 . . . . 0.0 109.813 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -107.84 122.18 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.565 1.546 . . . . 0.0 108.6 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.8 119.68 39.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.471 1.908 . . . . 0.0 109.876 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -118.43 133.02 56.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.086 0.955 . . . . 0.0 109.455 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.43 177.97 46.71 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -98.93 -26.16 14.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.382 1.873 . . . . 0.0 111.301 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -75.62 -43.42 48.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.925 1.29 . . . . 0.0 111.954 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -151.87 152.08 32.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -130.83 148.08 52.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.887 1.275 . . . . 0.0 109.503 169.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.8 -173.17 44.54 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 116.765 1.466 . . . . 0.0 116.765 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -146.35 141.21 27.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.301 1.84 . . . . 0.0 111.721 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -137.73 160.63 38.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 112.784 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -143.94 141.24 30.12 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.253 1.421 . . . . 0.0 111.427 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -142.71 166.32 24.99 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.094 2.157 . . . . 0.0 111.451 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.54 113.19 16.45 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.237 1.415 . . . . 0.0 110.429 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.69 163.44 24.28 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 111.621 -169.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.23 -39.28 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.349 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -154.98 167.99 28.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 109.748 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.04 15.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.877 2.071 . . . . 0.0 113.092 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.3 -33.23 55.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.785 1.234 . . . . 0.0 112.564 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -76.39 -40.2 51.6 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.654 -1.279 . . . . 0.0 111.708 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.57 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.692 -1.255 . . . . 0.0 112.231 169.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.46 -40.47 96.72 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.317 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.26 -47.83 80.76 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.727 0.694 . . . . 0.0 112.524 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.7 -52.12 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 120.517 -1.365 . . . . 0.0 111.786 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.23 -39.45 82.79 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.51 -20.44 59.98 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -71.82 -43.98 64.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.718 1.145 . . . . 0.0 111.822 170.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.09 -48.64 67.59 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.315 -0.866 . . . . 0.0 112.159 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -88.52 33.07 0.76 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.886 1.674 . . . . 0.0 114.006 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.68 69.15 0.16 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.569 2.748 . . . . 0.0 114.513 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 50.72 44.17 27.8 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.103 1.761 . . . . 0.0 113.855 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -61.99 -37.26 84.14 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.929 0.871 . . . . 0.0 110.974 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.83 -27.4 0.13 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.964 1.546 . . . . 0.0 116.964 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.51 -48.82 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 118.434 1.117 . . . . 0.0 112.849 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 33.49 44.51 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.279 2.231 . . . . 0.0 113.834 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.29 175.75 48.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -75.66 120.81 21.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.951 1.3 . . . . 0.0 109.681 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -88.35 142.49 27.69 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.651 0.781 . . . . 0.0 111.074 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -138.81 153.84 48.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.991 2.116 . . . . 0.0 109.486 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -146.84 137.69 23.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.42 1.464 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.13 112.25 19.92 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.954 2.102 . . . . 0.0 109.53 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.1 -34.57 64.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.501 0.72 . . . . 0.0 112.68 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.43 -10.3 4.71 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.708 1.603 . . . . 0.0 115.078 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -129.46 11.55 5.83 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.74 1.616 . . . . 0.0 114.201 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp 37.57 41.46 0.29 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.514 1.926 . . . . 0.0 114.736 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.26 140.28 52.65 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.311 -0.868 . . . . 0.0 112.135 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.74 145.66 40.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.676 2.39 . . . . 0.0 109.751 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.1 m -132.15 130.54 41.26 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.87 0.868 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.43 131.27 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.262 1.425 . . . . 0.0 109.702 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 95.2 m -134.73 132.53 38.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.035 0.934 . . . . 0.0 111.857 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.487 1.4 0 C-N-CA 124.809 1.243 . . . . 0.0 112.548 173.67 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.04 133.96 44.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.998 0.919 . . . . 0.0 111.368 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -125.02 158.28 34.11 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.918 1.687 . . . . 0.0 111.606 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.44 152.76 51.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.549 1.14 . . . . 0.0 113.093 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -131.47 111.94 12.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.817 2.447 . . . . 0.0 110.529 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -89.63 128.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 109.08 171.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.6 tp -113.73 119.77 38.53 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.467 1.507 . . . . 0.0 112.191 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -115.62 134.64 54.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.358 172.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.77 176.41 46.31 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -99.4 -41.12 7.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.973 1.709 . . . . 0.0 111.282 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 m -78.82 -35.42 44.13 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 112.36 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -151.81 149.97 29.61 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.044 1.337 . . . . 0.0 111.716 -176.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -134.05 160.26 38.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 110.034 172.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 -174.82 46.3 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -146.72 134.79 21.54 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.514 1.926 . . . . 0.0 110.701 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 p -137.81 159.14 42.81 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -141.65 142.8 33.39 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.939 1.296 . . . . 0.0 110.8 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -144.64 164.91 29.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.898 1.679 . . . . 0.0 110.023 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.91 124.04 43.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.059 1.343 . . . . 0.0 110.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.34 166.51 23.3 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.866 1.666 . . . . 0.0 111.645 -173.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.07 -40.04 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.436 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.82 168.27 24.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.37 1.468 . . . . 0.0 110.524 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -27.01 42.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.655 1.582 . . . . 0.0 112.822 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.3 62.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.018 1.327 . . . . 0.0 111.867 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -74.22 -42.49 59.67 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.726 -1.234 . . . . 0.0 111.944 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.45 84.1 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.655 -1.278 . . . . 0.0 113.151 171.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -63.61 -39.78 95.23 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.668 0.787 . . . . 0.0 111.138 169.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.53 -46.1 84.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.6 0.636 . . . . 0.0 112.46 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.79 -51.78 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.482 -1.386 . . . . 0.0 111.474 173.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.24 -40.18 93.08 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.18 -22.78 63.88 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -73.5 -42.08 62.28 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.359 1.436 . . . . 0.0 111.902 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -74.48 -21.2 59.69 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -128.59 33.08 4.72 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.69 -61.97 1.69 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -162.63 14.86 0.08 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.193 1.797 . . . . 0.0 114.704 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.59 -31.53 72.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.488 0.715 . . . . 0.0 112.524 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.44 -27.99 0.04 OUTLIER Glycine 0 CA--C 1.532 1.125 0 N-CA-C 116.787 1.475 . . . . 0.0 116.787 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.97 -62.16 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.461 1.131 . . . . 0.0 112.615 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 36.84 43.01 0.25 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.549 1.939 . . . . 0.0 114.525 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.8 -173.12 23.69 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.437 1.494 . . . . 0.0 115.836 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -86.38 123.13 31.27 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.897 1.679 . . . . 0.0 112.312 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -93.38 144.65 25.13 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.646 1.179 . . . . 0.0 113.626 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.9 152.89 48.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.431 2.292 . . . . 0.0 109.922 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -143.0 137.43 29.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.463 1.105 . . . . 0.0 112.838 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.08 104.31 10.73 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.871 2.069 . . . . 0.0 110.777 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.14 -37.58 80.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.198 1.399 . . . . 0.0 113.569 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -19.48 15.73 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.039 1.336 . . . . 0.0 114.585 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.96 12.77 6.23 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.787 2.035 . . . . 0.0 113.076 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 40.91 45.02 2.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.171 1.789 . . . . 0.0 114.41 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -131.06 138.05 49.42 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.758 0.789 . . . . 0.0 113.116 -172.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.39 145.75 29.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.655 2.782 . . . . 0.0 109.418 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -134.82 126.32 28.62 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.043 0.937 . . . . 0.0 111.081 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.82 133.28 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 111.76 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 m -134.98 111.9 10.18 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.488 1.43 0 C-N-CA 125.225 1.41 . . . . 0.0 113.325 175.349 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.01 131.57 42.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.773 0.829 . . . . 0.0 111.619 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.71 158.94 32.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.869 1.668 . . . . 0.0 112.128 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -134.36 155.24 50.61 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 112.527 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -133.25 125.43 29.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.13 2.172 . . . . 0.0 110.151 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -106.61 124.76 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.985 1.714 . . . . 0.0 108.467 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.3 tp -113.6 119.63 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 110.599 -171.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.95 115.38 23.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.885 1.274 . . . . 0.0 110.433 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.51 177.64 34.22 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.567 1.079 . . . . 0.0 114.969 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -101.32 -32.3 10.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.395 1.478 . . . . 0.0 112.243 -173.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.0 m -79.76 -41.69 26.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.042 0.937 . . . . 0.0 111.532 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -150.69 146.66 26.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.747 1.219 . . . . 0.0 112.068 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.99 155.7 48.68 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.121 1.768 . . . . 0.0 110.745 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.66 -171.85 44.29 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -145.21 139.7 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.669 1.988 . . . . 0.0 111.258 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -139.97 162.42 35.24 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.226 1.01 . . . . 0.0 113.073 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -143.95 140.89 29.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.092 1.357 . . . . 0.0 111.093 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.414 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 7.4 t -142.56 166.28 25.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.712 2.005 . . . . 0.0 111.358 -174.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -125.82 117.31 23.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.857 1.263 . . . . 0.0 110.838 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.43 165.15 23.22 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 125.581 1.553 . . . . 0.0 111.799 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.68 -38.9 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.183 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -155.61 168.69 26.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.559 1.543 . . . . 0.0 109.426 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -29.7 32.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 125.951 1.7 . . . . 0.0 112.771 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.17 64.87 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.093 -1.005 . . . . 0.0 112.171 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.1 m -75.15 -40.79 59.33 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.749 -1.219 . . . . 0.0 111.637 172.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.532 -1.355 . . . . 0.0 113.489 171.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.442 170.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.98 -49.47 74.57 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.243 0.474 . . . . 0.0 112.126 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.22 -52.77 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.228 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.7 m-85 -59.98 -38.01 81.32 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -68.31 -21.13 64.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.42 -47.67 54.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.593 1.542 . . . . 0.0 111.192 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -68.48 -28.9 67.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.101 1.36 . . . . 0.0 114.088 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -124.21 31.85 5.68 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.35 -61.04 2.61 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -163.31 15.73 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.909 1.684 . . . . 0.0 114.94 -172.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -64.44 -29.26 70.31 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.09 -24.1 0.05 OUTLIER Glycine 0 N--CA 1.472 1.052 0 N-CA-C 117.2 1.64 . . . . 0.0 117.2 171.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.77 -57.57 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.307 1.054 . . . . 0.0 112.433 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 35.74 41.14 0.1 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.171 2.189 . . . . 0.0 115.007 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.92 179.02 28.67 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.044 1.307 . . . . 0.0 115.014 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.6 136.53 42.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.942 1.297 . . . . 0.0 110.644 170.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -104.31 143.3 33.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.969 1.308 . . . . 0.0 112.056 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.97 155.65 47.86 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.648 1.979 . . . . 0.0 110.581 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -148.92 144.57 26.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.437 1.471 . . . . 0.0 112.721 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.93 114.83 23.79 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.778 2.031 . . . . 0.0 111.402 173.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.74 -11.69 58.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.386 -1.446 . . . . 0.0 114.661 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.49 -20.95 53.53 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.318 2.3 t -129.6 8.27 5.37 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 52.52 39.53 28.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.043 1.737 . . . . 0.0 113.909 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.63 139.71 52.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.706 1.202 . . . . 0.0 110.534 -172.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -108.36 145.52 34.38 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.237 2.215 . . . . 0.0 108.968 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 48.5 m -130.7 126.61 36.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.64 0.776 . . . . 0.0 110.03 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.43 127.98 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.605 1.162 . . . . 0.0 109.744 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -134.83 130.68 36.42 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.689 0.795 . . . . 0.0 113.063 -171.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 125.036 1.335 . . . . 0.0 112.04 169.866 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.13 133.93 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.176 0.99 . . . . 0.0 111.151 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.8 159.1 31.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.074 1.75 . . . . 0.0 111.462 170.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.22 152.55 51.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.678 1.191 . . . . 0.0 112.854 -174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.84 117.87 19.1 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.294 2.238 . . . . 0.0 110.533 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.1 122.47 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.054 1.341 . . . . 0.0 109.319 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 tp -103.29 119.45 38.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.334 1.454 . . . . 0.0 110.979 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.3 145.47 45.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 110.4 169.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.82 -166.68 39.37 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.988 0.804 . . . . 0.0 114.438 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -121.19 -24.74 5.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.996 2.118 . . . . 0.0 112.456 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 m -80.25 -38.0 31.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.408 1.083 . . . . 0.0 111.501 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -151.76 151.01 30.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.541 1.536 . . . . 0.0 111.63 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.41 156.35 48.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.864 1.666 . . . . 0.0 109.715 169.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.1 -168.24 38.47 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 116.638 1.415 . . . . 0.0 116.638 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -146.69 139.16 25.0 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.865 1.666 . . . . 0.0 111.731 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -134.69 161.4 35.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.203 1.001 . . . . 0.0 113.066 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.4 141.34 27.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.184 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.57 166.07 25.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.911 1.685 . . . . 0.0 110.691 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -121.36 123.75 42.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.002 1.721 . . . . 0.0 109.95 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.86 24.74 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.446 1.498 . . . . 0.0 111.137 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.45 -45.23 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.45 170.32 19.89 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.531 1.132 . . . . 0.0 113.152 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.33 8.49 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.709 2.003 . . . . 0.0 113.425 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -41.89 45.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.79 1.636 . . . . 0.0 111.511 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.3 m -71.45 -44.0 65.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.625 -1.297 . . . . 0.0 111.899 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.57 83.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.849 -1.157 . . . . 0.0 113.651 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.03 -32.17 64.92 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 118.728 -0.653 . . . . 0.0 112.545 170.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.39 -46.52 88.25 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.248 0.931 . . . . 0.0 110.926 172.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.54 -52.26 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.264 -0.897 . . . . 0.0 111.181 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.52 -36.96 77.12 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.84 -20.44 65.15 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.98 -43.17 68.61 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 119.825 -1.797 . . . . 0.0 113.287 172.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.03 -21.22 29.52 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.787 1.235 . . . . 0.0 113.912 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 113.67 14.18 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.599 1.56 . . . . 0.0 112.49 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.19 -155.84 0.08 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.257 2.223 . . . . 0.0 109.773 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.71 -9.09 0.19 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.411 2.285 . . . . 0.0 116.805 173.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -56.42 -35.92 68.36 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.228 0.611 . . . . 0.0 112.287 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.9 -6.13 0.03 OUTLIER Glycine 0 N--CA 1.473 1.129 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.57 61.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 123.33 1.538 . . . . 0.0 113.961 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.42 46.42 0.43 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.246 1.818 . . . . 0.0 109.196 169.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.21 -161.75 20.72 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 127.528 2.489 . . . . 0.0 115.832 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.95 148.74 45.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.198 1.399 . . . . 0.0 112.597 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -121.07 138.26 54.27 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.687 1.195 . . . . 0.0 113.328 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -138.85 151.37 46.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.728 1.611 . . . . 0.0 109.965 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -143.46 136.48 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.853 1.261 . . . . 0.0 112.08 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.0 103.9 10.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.011 2.124 . . . . 0.0 110.3 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.34 -31.34 71.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.29 38.4 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 t -128.94 12.68 6.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.828 2.051 . . . . 0.0 113.503 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt 41.42 43.8 2.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.047 1.739 . . . . 0.0 114.57 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -127.88 138.05 52.54 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.824 0.821 . . . . 0.0 112.775 -171.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.21 145.94 33.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.05 2.94 . . . . 0.0 109.49 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -125.63 143.17 51.14 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.756 0.822 . . . . 0.0 110.825 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.26 132.04 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.5 1.92 . . . . 0.0 110.29 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -134.72 139.1 44.94 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.712 1.205 . . . . 0.0 111.7 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.697 172.55 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.465 ' SD ' ' HE3' ' B' ' 50' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.74 133.53 43.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.491 0.716 . . . . 0.0 111.441 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -124.73 157.01 36.72 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.906 1.682 . . . . 0.0 111.759 171.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.36 151.62 51.78 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.831 1.252 . . . . 0.0 112.314 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.02 132.64 47.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.008 2.123 . . . . 0.0 109.855 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.89 125.7 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.664 1.586 . . . . 0.0 108.7 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.82 119.7 40.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.131 1.772 . . . . 0.0 109.899 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -119.87 131.12 55.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.468 1.107 . . . . 0.0 109.13 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.33 -175.08 44.28 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -171.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -110.93 -28.44 8.35 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 112.182 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.1 m -87.9 -34.86 18.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.238 1.015 . . . . 0.0 112.168 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.61 148.19 27.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.715 1.206 . . . . 0.0 112.737 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -134.92 154.37 51.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.915 1.286 . . . . 0.0 110.313 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.25 -169.94 40.65 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -145.28 142.6 29.61 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.065 1.746 . . . . 0.0 111.746 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.6 p -137.62 164.1 29.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.497 1.119 . . . . 0.0 112.903 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 143.21 28.82 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.278 1.431 . . . . 0.0 111.406 -173.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.06 166.31 26.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.445 1.898 . . . . 0.0 111.141 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -123.88 122.63 38.49 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.416 1.087 . . . . 0.0 111.166 170.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.87 165.4 23.94 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.372 1.869 . . . . 0.0 111.457 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.5 -40.04 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.342 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -153.97 169.46 23.42 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.663 1.585 . . . . 0.0 110.492 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.6 -33.07 31.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 126.76 2.024 . . . . 0.0 112.781 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.87 -31.87 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.217 1.007 . . . . 0.0 112.549 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -77.72 -41.27 38.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.911 -1.118 . . . . 0.0 111.46 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.73 92.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.538 -1.351 . . . . 0.0 113.267 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -61.89 -41.82 98.34 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.584 0.753 . . . . 0.0 111.005 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.8 -47.46 83.37 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.68 -50.94 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 120.357 1.435 . . . . 0.0 111.589 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.23 -38.5 83.61 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.19 -20.33 60.91 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 174.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.97 -39.85 72.3 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.409 1.459 . . . . 0.0 112.563 171.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.11 -45.13 58.72 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.247 -0.908 . . . . 0.0 112.773 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.42 29.56 5.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.01 -57.83 11.16 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -167.03 26.43 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.081 2.153 . . . . 0.0 113.31 -173.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -57.75 -38.16 74.88 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.309 0.644 . . . . 0.0 112.717 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.94 -28.08 0.12 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.44 1.495 . . . . 0.0 115.817 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.73 -48.73 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.114 1.457 . . . . 0.0 112.796 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.22 40.11 0.17 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.253 2.221 . . . . 0.0 114.865 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.52 178.25 41.18 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.963 1.268 . . . . 0.0 114.8 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.86 148.64 42.17 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.117 1.367 . . . . 0.0 111.611 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -118.21 139.36 51.4 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.622 1.569 . . . . 0.0 112.751 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -138.87 153.91 48.35 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.847 2.059 . . . . 0.0 109.858 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -144.59 142.54 30.24 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.104 1.362 . . . . 0.0 112.567 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -118.12 121.5 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.284 2.234 . . . . 0.0 111.316 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.6 -28.84 30.58 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.312 -0.868 . . . . 0.0 112.831 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.01 -17.2 64.53 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 36.8 p -128.97 1.94 5.3 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.687 -1.597 . . . . 0.0 114.458 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.465 ' HE3' ' SD ' ' B' ' 1' ' ' MET . 52.4 mmtt 50.06 36.1 11.35 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.492 1.517 . . . . 0.0 112.327 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.1 m -123.01 138.32 54.72 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.826 -169.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -113.24 145.53 40.86 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.549 2.339 . . . . 0.0 109.166 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -130.03 137.03 50.03 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.815 0.846 . . . . 0.0 109.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.9 126.23 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.888 1.675 . . . . 0.0 108.983 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 126.4 28.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 124.346 1.059 . . . . 0.0 111.966 169.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.74 135.13 35.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.032 0.933 . . . . 0.0 111.964 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 158.35 33.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.984 2.113 . . . . 0.0 111.646 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -131.14 155.29 47.26 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.524 1.13 . . . . 0.0 112.419 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.83 133.1 42.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.922 2.489 . . . . 0.0 110.387 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -115.24 126.28 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.253 1.421 . . . . 0.0 109.692 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -109.65 116.33 31.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.16 1.384 . . . . 0.0 111.594 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.06 112.46 19.16 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.479 1.912 . . . . 0.0 110.916 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 168.09 38.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.086 0.851 . . . . 0.0 114.806 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.48 -35.72 58.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.132 1.373 . . . . 0.0 113.072 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -83.15 -33.68 26.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.83 2.052 . . . . 0.0 114.123 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -151.96 147.72 26.89 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.037 1.335 . . . . 0.0 111.42 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -134.48 151.83 51.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.619 1.168 . . . . 0.0 109.329 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.17 -174.03 44.23 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 116.696 1.438 . . . . 0.0 116.696 -177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.71 131.9 19.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.518 1.927 . . . . 0.0 111.766 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -135.87 158.7 43.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.24 139.03 25.52 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.682 1.193 . . . . 0.0 111.265 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 t -143.27 159.93 41.43 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.354 1.861 . . . . 0.0 111.018 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -117.27 120.36 38.0 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.692 1.597 . . . . 0.0 110.298 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.32 167.15 21.86 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.494 1.518 . . . . 0.0 111.694 -172.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.4 -37.28 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.858 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -154.73 172.47 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.428 1.891 . . . . 0.0 111.699 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.69 -32.03 65.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.645 1.178 . . . . 0.0 113.263 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.68 64.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.493 1.117 . . . . 0.0 111.418 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.2 m -68.02 -45.14 74.85 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.016 -1.053 . . . . 0.0 112.063 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.62 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.864 -1.147 . . . . 0.0 113.188 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.21 -40.92 95.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.871 0.868 . . . . 0.0 110.746 170.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.58 -43.93 88.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.264 0.938 . . . . 0.0 112.959 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.61 -49.75 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.357 -1.464 . . . . 0.0 111.622 172.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.17 -44.09 95.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -64.95 -29.5 70.44 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 112.216 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.51 -33.98 73.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.095 1.316 . . . . 0.0 113.695 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -80.33 -20.98 42.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.253 46.9 m-85 -121.21 30.51 6.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.589 1.556 . . . . 0.0 115.08 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -63.12 49.15 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.771 3.228 . . . . 0.0 116.425 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 60.53 3.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.309 1.844 . . . . 0.0 114.222 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -65.33 -38.3 89.71 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.488 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.61 42.04 0.04 OUTLIER Glycine 0 N--CA 1.473 1.129 0 C-N-CA 125.361 1.458 . . . . 0.0 116.097 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.37 -52.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.804 1.302 . . . . 0.0 113.342 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 31.76 52.93 0.23 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.58 2.352 . . . . 0.0 115.395 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.06 168.76 36.73 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-O 121.791 0.662 . . . . 0.0 114.589 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.73 115.47 4.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.831 1.653 . . . . 0.0 110.814 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -80.03 137.01 36.71 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.78 0.8 . . . . 0.0 110.403 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 m -138.99 152.36 47.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.493 1.917 . . . . 0.0 109.571 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -143.9 140.24 29.63 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -118.01 120.93 39.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.452 2.701 . . . . 0.0 112.336 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.93 -31.45 31.3 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.149 1.78 . . . . 0.0 113.614 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.09 64.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.823 0.849 . . . . 0.0 112.541 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -128.61 -6.3 5.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.465 1.506 . . . . 0.0 113.695 -171.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 59.77 45.25 12.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.119 1.368 . . . . 0.0 111.98 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -122.26 136.59 54.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.987 -172.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -107.71 145.71 33.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.518 2.327 . . . . 0.0 110.105 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -129.56 146.24 51.39 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.949 0.9 . . . . 0.0 110.555 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -133.04 121.93 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.181 1.793 . . . . 0.0 109.069 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -134.94 139.06 44.64 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.846 1.258 . . . . 0.0 113.646 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-N 120.273 1.397 . . . . 0.0 111.589 172.284 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -77.43 132.64 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.056 0.942 . . . . 0.0 111.627 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.52 157.37 35.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.046 1.738 . . . . 0.0 111.616 173.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -135.5 152.24 51.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.748 1.219 . . . . 0.0 112.275 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.71 130.82 45.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.114 2.166 . . . . 0.0 110.757 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.0 mt -109.04 112.99 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.878 1.671 . . . . 0.0 108.617 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -93.84 119.67 33.09 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.377 1.871 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -118.29 141.41 48.55 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.79 0.836 . . . . 0.0 110.397 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.89 -174.55 46.76 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.473 1.035 . . . . 0.0 113.867 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -108.36 -34.51 6.78 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.467 1.507 . . . . 0.0 112.151 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.6 m -71.91 -43.57 65.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.782 0.833 . . . . 0.0 111.545 170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -146.68 145.94 30.19 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.376 1.07 . . . . 0.0 112.696 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -130.85 153.22 49.34 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.997 1.319 . . . . 0.0 110.52 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.46 -172.79 44.23 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -144.56 135.53 25.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.566 1.947 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 p -136.86 163.2 31.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.937 0.895 . . . . 0.0 113.057 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.25 141.68 27.61 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.18 1.392 . . . . 0.0 111.212 -172.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -144.34 166.32 25.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.669 1.988 . . . . 0.0 111.794 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.83 127.11 52.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.317 1.447 . . . . 0.0 109.061 172.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.44 163.46 30.42 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.435 1.494 . . . . 0.0 111.718 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.3 -36.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.835 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -155.27 169.67 23.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.858 1.663 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.25 -35.91 60.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.716 1.206 . . . . 0.0 112.719 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.78 70.9 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.894 -1.129 . . . . 0.0 111.759 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -67.89 -45.49 74.33 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.265 1.026 . . . . 0.0 111.708 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.61 97.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.678 -1.264 . . . . 0.0 113.425 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.66 -42.04 98.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.057 0.943 . . . . 0.0 110.983 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.68 -47.32 85.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 80.2 t -59.07 -51.17 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.622 1.101 . . . . 0.0 111.544 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.47 -38.25 83.63 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.297 -0.877 . . . . 0.0 113.328 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.81 -20.47 61.14 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.77 -42.26 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.578 1.081 . . . . 0.0 111.254 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.94 -42.43 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.115 . . . . 0.0 113.661 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -104.76 26.54 9.01 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.646 1.178 . . . . 0.0 114.136 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.91 -56.31 22.23 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -165.43 35.34 0.06 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.963 1.705 . . . . 0.0 112.62 -170.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.49 -25.26 60.37 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.185 0.993 . . . . 0.0 112.311 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.3 0.28 0.25 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 127.663 2.554 . . . . 0.0 115.219 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.86 35.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.095 2.158 . . . . 0.0 111.516 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.44 51.06 0.05 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.559 2.343 . . . . 0.0 112.209 169.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.4 -160.01 22.18 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.366 2.412 . . . . 0.0 114.183 -169.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.9 118.86 16.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.745 1.218 . . . . 0.0 111.26 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -95.74 142.94 27.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.471 1.108 . . . . 0.0 110.031 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m -138.78 153.47 48.43 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.39 1.876 . . . . 0.0 109.263 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -142.94 138.74 30.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.776 1.23 . . . . 0.0 111.378 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.96 110.91 18.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.228 1.811 . . . . 0.0 109.063 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.5 -34.77 67.88 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.618 0.767 . . . . 0.0 112.091 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -9.81 12.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 12.52 5.93 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.754 1.222 . . . . 0.0 113.308 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 39.21 43.39 0.87 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.469 1.907 . . . . 0.0 115.366 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 91.0 m -131.01 140.04 50.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.403 -0.811 . . . . 0.0 112.934 -171.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.82 145.75 37.63 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.326 2.65 . . . . 0.0 110.455 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 53.6 m -128.65 141.44 51.34 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.7 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.49 136.41 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.768 0.827 . . . . 0.0 111.022 170.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 m -134.91 139.63 45.13 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.7 1.2 . . . . 0.0 110.958 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.486 1.337 0 C-N-CA 124.458 1.103 . . . . 0.0 112.466 172.177 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.47 136.25 44.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -124.93 158.2 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.176 1.79 . . . . 0.0 111.141 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -132.87 154.85 49.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.689 1.196 . . . . 0.0 112.514 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -132.68 129.98 39.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.406 2.682 . . . . 0.0 109.956 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.01 123.57 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.346 1.458 . . . . 0.0 109.605 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.7 tp -105.41 117.32 33.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.871 1.269 . . . . 0.0 111.317 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -120.13 116.18 25.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.29 1.836 . . . . 0.0 110.409 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.31 168.54 40.97 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.083 0.849 . . . . 0.0 114.557 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -79.27 -37.13 38.61 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.9 p -84.44 -29.36 26.17 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.69 145.69 25.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.474 1.51 . . . . 0.0 111.632 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.61 155.05 51.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.315 1.446 . . . . 0.0 109.812 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.07 -165.03 35.72 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -143.8 144.05 31.62 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.593 1.557 . . . . 0.0 112.425 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -138.26 158.46 44.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.438 1.095 . . . . 0.0 113.39 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -143.64 140.22 30.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.097 1.359 . . . . 0.0 110.853 -171.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.4 t -145.51 166.05 26.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.759 1.624 . . . . 0.0 110.551 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -118.99 126.82 52.64 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.28 1.432 . . . . 0.0 110.774 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 168.7 18.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.598 1.559 . . . . 0.0 111.666 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.85 -40.47 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.351 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -152.54 173.01 15.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.412 1.485 . . . . 0.0 112.725 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.7 63.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.959 1.303 . . . . 0.0 113.813 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.78 59.75 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 120.099 1.318 . . . . 0.0 111.36 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m -67.77 -46.0 73.28 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.797 -1.19 . . . . 0.0 112.117 170.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.58 83.3 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.407 -1.433 . . . . 0.0 113.654 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.44 -40.07 95.02 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.217 0.607 . . . . 0.0 111.314 170.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.72 -46.39 82.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.664 -0.647 . . . . 0.0 112.142 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.31 -50.46 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.193 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -59.87 -36.71 77.49 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.14 -25.29 66.1 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 171.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -60.29 -35.87 76.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 119.311 -2.118 . . . . 0.0 112.568 172.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.67 -22.12 20.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.356 1.462 . . . . 0.0 114.46 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -132.92 22.45 4.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.41 -38.61 74.62 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.503 -1.373 . . . . 0.0 113.565 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.83 -68.41 0.08 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.213 1.805 . . . . 0.0 110.707 169.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 44.48 -66.49 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.186 3.794 . . . . 0.0 116.541 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.84 8.57 1.77 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.91 1.243 . . . . 0.0 116.09 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.2 -43.85 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.082 1.441 . . . . 0.0 113.01 -171.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.19 43.03 1.3 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.039 1.735 . . . . 0.0 114.899 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.55 173.92 48.08 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 115.905 1.122 . . . . 0.0 115.905 -170.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 123.3 27.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.38 1.872 . . . . 0.0 111.465 172.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -84.19 144.73 28.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.486 1.115 . . . . 0.0 113.36 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -138.94 153.37 48.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.234 1.813 . . . . 0.0 109.821 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -144.23 136.15 26.17 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.508 1.123 . . . . 0.0 112.911 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.13 102.18 8.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.055 2.142 . . . . 0.0 111.215 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.96 -29.27 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -18.18 12.56 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -128.83 -0.44 5.37 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.104 1.762 . . . . 0.0 114.138 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 52.2 48.86 21.8 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.303 -1.498 . . . . 0.0 113.414 -171.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 m -129.7 139.49 51.34 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.802 0.811 . . . . 0.0 112.998 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -108.82 145.92 34.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.262 3.025 . . . . 0.0 109.845 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -126.11 147.2 49.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.973 0.909 . . . . 0.0 110.22 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -132.97 123.65 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.241 1.817 . . . . 0.0 108.988 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -134.99 139.88 45.23 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.969 1.308 . . . . 0.0 114.087 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.482 1.152 0 CA-C-N 119.646 1.112 . . . . 0.0 110.523 169.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -73.09 131.04 41.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.73 0.812 . . . . 0.0 111.631 174.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.53 158.84 31.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.055 1.742 . . . . 0.0 111.882 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.39 154.7 51.22 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.643 1.177 . . . . 0.0 112.547 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.05 132.44 44.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.635 2.374 . . . . 0.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -114.68 125.83 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.648 1.579 . . . . 0.0 108.49 172.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 65.2 tp -111.0 119.73 40.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.878 1.671 . . . . 0.0 110.245 -175.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -119.57 131.93 55.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.16 0.984 . . . . 0.0 109.282 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -179.74 45.12 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -102.19 -31.43 10.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.859 1.264 . . . . 0.0 112.61 -170.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -76.33 -40.04 52.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.68 1.192 . . . . 0.0 112.499 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.51 146.21 25.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 0.0 112.631 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.73 154.21 48.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.532 1.533 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.51 -174.33 43.84 Favored Glycine 0 N--CA 1.472 1.088 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -147.97 133.45 18.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.957 2.103 . . . . 0.0 110.796 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -141.4 163.76 32.06 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.333 1.053 . . . . 0.0 113.14 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -146.4 142.07 27.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 -170.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -142.57 166.23 25.23 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.928 2.091 . . . . 0.0 111.717 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -127.1 112.35 15.08 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.311 1.445 . . . . 0.0 110.75 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.06 166.14 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 125.764 1.626 . . . . 0.0 111.714 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.85 -40.56 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.375 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -156.16 173.39 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.45 1.5 . . . . 0.0 110.26 174.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -28.19 36.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.367 1.867 . . . . 0.0 113.244 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.85 56.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.558 1.143 . . . . 0.0 112.168 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 58.0 m -75.5 -40.51 57.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.909 -1.12 . . . . 0.0 111.341 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.02 84.96 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.736 -1.228 . . . . 0.0 113.242 170.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -39.76 95.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.636 0.774 . . . . 0.0 111.528 170.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.02 -45.98 86.49 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.695 -0.628 . . . . 0.0 112.637 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.51 -53.97 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 120.803 -1.186 . . . . 0.0 111.024 173.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -58.49 -37.75 76.19 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -67.86 -27.74 66.94 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.204 -0.935 . . . . 0.0 113.189 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -36.41 83.58 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 119.987 -1.696 . . . . 0.0 112.409 172.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -89.78 -17.54 28.01 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.47 10.89 3.22 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 118.443 2.757 . . . . 0.0 118.443 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -70.96 -54.89 9.68 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -153.12 10.49 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -63.13 -32.46 73.85 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.6 -0.688 . . . . 0.0 111.969 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.106 1.602 . . . . 0.0 117.106 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.24 -58.19 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.157 1.479 . . . . 0.0 112.575 -174.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 36.15 41.93 0.15 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.597 1.959 . . . . 0.0 114.679 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 -176.87 28.66 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.089 1.328 . . . . 0.0 114.725 -169.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.39 122.04 21.43 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.437 1.095 . . . . 0.0 110.191 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -94.86 139.58 31.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.358 1.063 . . . . 0.0 111.027 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.1 m -138.84 154.32 48.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.72 2.008 . . . . 0.0 109.391 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -142.85 137.97 29.97 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.766 -1.208 . . . . 0.0 111.734 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.07 112.88 20.8 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.713 2.005 . . . . 0.0 109.47 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.25 -32.98 59.17 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.582 0.753 . . . . 0.0 112.453 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.26 -10.01 9.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -129.47 12.29 5.91 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 114.407 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt 39.76 40.39 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.964 1.706 . . . . 0.0 115.006 -172.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.9 m -126.24 135.53 51.68 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.532 -0.73 . . . . 0.0 112.199 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -102.34 145.55 29.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.954 2.102 . . . . 0.0 109.281 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -127.33 139.45 52.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.134 0.973 . . . . 0.0 109.756 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.06 132.83 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.502 1.121 . . . . 0.0 109.676 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.68 133.13 39.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.908 0.883 . . . . 0.0 112.2 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 127.939 2.496 . . . . 0.0 111.307 -176.65 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -73.08 132.72 43.67 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.854 0.862 . . . . 0.0 111.161 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.95 158.68 33.01 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.134 1.774 . . . . 0.0 111.697 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -132.29 155.26 48.66 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.016 1.326 . . . . 0.0 113.025 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.05 129.29 35.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.883 2.473 . . . . 0.0 110.938 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.22 116.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.568 1.547 . . . . 0.0 109.619 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.1 tp -98.12 118.04 33.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.098 1.359 . . . . 0.0 111.305 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.19 135.27 55.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.724 1.61 . . . . 0.0 109.97 169.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.71 177.52 48.47 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.11 -10.45 47.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.72 1.608 . . . . 0.0 113.26 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.9 m -129.68 -25.91 2.54 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.543 1.537 . . . . 0.0 113.004 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -151.75 141.6 21.97 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.892 1.277 . . . . 0.0 110.704 173.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.81 148.91 50.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.065 1.346 . . . . 0.0 110.167 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.52 -170.41 43.03 Favored Glycine 0 N--CA 1.475 1.297 0 N-CA-C 117.207 1.643 . . . . 0.0 117.207 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -144.1 126.73 16.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.358 1.863 . . . . 0.0 111.955 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -134.41 160.93 36.46 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -146.31 141.24 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.002 1.321 . . . . 0.0 111.253 -170.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -141.96 164.44 30.16 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.238 1.815 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -120.19 117.93 29.18 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.101 1.76 . . . . 0.0 109.681 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.38 160.35 39.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.511 1.525 . . . . 0.0 111.749 -169.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -152.71 171.42 18.24 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.06 1.744 . . . . 0.0 111.805 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -31.09 62.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.656 1.182 . . . . 0.0 113.235 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.94 -36.9 62.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.666 1.186 . . . . 0.0 111.456 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 m -67.11 -45.38 77.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 120.736 -1.228 . . . . 0.0 111.977 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.31 91.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.895 -1.128 . . . . 0.0 113.067 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.4 -40.08 93.06 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.127 0.971 . . . . 0.0 111.062 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.08 -44.58 79.7 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.87 -47.64 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 120.322 -1.486 . . . . 0.0 111.56 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.47 -41.45 94.19 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.431 -0.793 . . . . 0.0 111.763 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.79 -35.47 78.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 119.598 -1.939 . . . . 0.0 112.892 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.23 -21.56 33.36 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.52 19.61 2.91 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.58 -34.26 53.67 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 119.819 -1.801 . . . . 0.0 114.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -161.53 5.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -64.38 -31.63 72.91 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 121.129 -0.982 . . . . 0.0 111.991 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -39.34 0.04 OUTLIER Glycine 0 N--CA 1.473 1.134 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.36 -47.59 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.166 0.983 . . . . 0.0 112.993 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 37.45 43.49 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.229 1.812 . . . . 0.0 113.749 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.57 176.98 41.89 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.802 1.192 . . . . 0.0 115.926 -169.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.12 117.74 19.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.953 1.701 . . . . 0.0 110.907 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -80.26 143.64 33.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.365 1.066 . . . . 0.0 112.236 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -139.01 153.97 48.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.385 1.874 . . . . 0.0 109.817 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -143.93 137.86 28.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.504 1.122 . . . . 0.0 112.799 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.96 104.29 10.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.198 2.199 . . . . 0.0 110.477 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.16 -26.75 65.02 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 113.482 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -27.55 39.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.274 1.429 . . . . 0.0 113.445 172.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -128.76 9.25 5.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 112.709 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt 38.8 43.07 0.69 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.781 2.032 . . . . 0.0 114.07 -170.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -127.43 134.71 49.85 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.098 0.952 . . . . 0.0 112.466 -171.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -103.65 145.89 29.39 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.919 2.888 . . . . 0.0 110.069 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -126.28 145.5 50.39 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.696 0.798 . . . . 0.0 109.883 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.76 125.67 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.223 1.409 . . . . 0.0 109.292 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -134.96 139.85 45.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.022 1.329 . . . . 0.0 113.715 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 124.348 1.059 . . . . 0.0 111.03 169.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HE2' ' B' ' 50' ' ' LYS . 51.6 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -76.96 129.44 36.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.504 0.722 . . . . 0.0 111.531 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.51 159.34 30.79 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.881 1.672 . . . . 0.0 111.925 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -135.52 153.54 51.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.89 1.276 . . . . 0.0 112.642 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -132.54 122.1 24.3 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.027 2.131 . . . . 0.0 111.129 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -101.28 115.7 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.273 1.429 . . . . 0.0 108.853 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.4 tp -99.65 119.17 37.66 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.774 1.63 . . . . 0.0 109.578 -175.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.19 111.14 17.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.683 0.793 . . . . 0.0 110.776 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.16 172.88 33.45 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.044 0.83 . . . . 0.0 114.97 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.08 -38.57 22.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.536 1.134 . . . . 0.0 112.876 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -79.68 -35.59 38.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.789 0.835 . . . . 0.0 112.691 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.95 146.17 28.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.126 0.971 . . . . 0.0 113.424 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mttp -130.98 151.0 51.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.894 1.277 . . . . 0.0 110.231 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.86 -172.3 43.16 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -141.68 133.57 27.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.945 1.698 . . . . 0.0 111.314 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.3 p -136.83 165.06 26.84 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.032 0.933 . . . . 0.0 112.867 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.04 146.26 30.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.59 1.556 . . . . 0.0 111.044 -171.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -144.54 165.97 26.49 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.838 1.655 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -128.37 109.88 11.84 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.883 1.273 . . . . 0.0 110.174 174.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.88 167.38 19.05 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.475 1.51 . . . . 0.0 111.786 -169.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -69.95 -34.75 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.943 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -154.16 168.2 27.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.69 1.596 . . . . 0.0 110.528 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.16 50.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.044 1.738 . . . . 0.0 112.628 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.43 66.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 112.661 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -71.89 -43.26 65.67 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.31 -0.869 . . . . 0.0 111.349 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.01 97.71 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.983 -1.073 . . . . 0.0 113.017 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.67 -43.1 94.09 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.415 1.086 . . . . 0.0 111.14 172.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.94 -48.38 82.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -57.66 -50.23 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 119.355 0.98 . . . . 0.0 111.604 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.7 -39.99 90.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.14 -0.975 . . . . 0.0 112.985 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -20.34 61.29 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -69.03 -43.21 75.19 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.625 1.102 . . . . 0.0 111.906 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.43 -37.87 42.73 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -111.78 24.97 12.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.63 -49.19 65.64 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -160.53 32.29 0.16 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.13 1.772 . . . . 0.0 112.925 -171.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.47 -26.17 46.02 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 122.07 0.938 . . . . 0.0 112.35 -174.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.13 -38.91 0.18 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.959 2.695 . . . . 0.0 111.709 176.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.02 38.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.66 2.384 . . . . 0.0 115.794 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.86 -5.97 10.72 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.921 1.688 . . . . 0.0 111.978 169.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.74 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.54 1.643 0 C-N-CA 130.407 3.861 . . . . 0.0 117.981 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.5 115.61 24.1 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.92 1.688 . . . . 0.0 111.737 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -88.09 143.09 27.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.398 1.079 . . . . 0.0 110.953 171.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -138.92 156.08 47.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.09 2.156 . . . . 0.0 110.048 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -143.17 141.72 31.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.035 1.334 . . . . 0.0 112.701 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.12 124.21 47.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.208 2.203 . . . . 0.0 111.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.58 -32.2 28.6 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.57 -17.39 63.91 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.823 -1.173 . . . . 0.0 114.067 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.2 1.91 5.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 112.978 -1.919 . . . . 0.0 113.997 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HE2' ' SD ' ' B' ' 1' ' ' MET . 47.6 mmtm 50.12 33.44 7.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.462 1.505 . . . . 0.0 112.385 175.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 75.4 m -121.54 135.27 55.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.383 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.05 145.58 30.29 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.917 2.087 . . . . 0.0 109.387 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 70.3 m -129.93 142.59 50.63 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 0.0 109.349 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.24 135.35 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.276 0.631 . . . . 0.0 111.278 170.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.1 m -134.69 135.88 42.34 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.445 1.098 . . . . 0.0 111.625 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.004 1.322 . . . . 0.0 111.622 169.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.517 0.199 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.14 132.38 43.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 0.0 110.573 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -124.93 155.59 39.33 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.583 1.553 . . . . 0.0 111.203 170.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -132.98 155.37 49.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.088 0.955 . . . . 0.0 113.227 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -134.52 130.27 36.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.347 2.259 . . . . 0.0 109.924 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.0 mt -110.73 130.44 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.104 1.761 . . . . 0.0 108.715 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 tp -113.59 119.49 37.66 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.667 1.587 . . . . 0.0 112.181 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.32 133.2 56.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.281 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.25 174.88 43.7 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.722 1.153 . . . . 0.0 115.047 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -88.74 -37.97 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.858 1.263 . . . . 0.0 113.425 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -100.69 -20.04 15.79 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.444 1.498 . . . . 0.0 113.844 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.69 144.97 24.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.334 1.454 . . . . 0.0 112.172 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -140.62 159.05 43.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.618 1.967 . . . . 0.0 109.853 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.04 -169.87 42.91 Favored Glycine 0 N--CA 1.474 1.19 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.22 146.63 30.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.197 1.799 . . . . 0.0 112.156 173.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -141.01 161.09 38.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.374 1.07 . . . . 0.0 113.543 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.88 144.18 33.7 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.366 1.467 . . . . 0.0 110.69 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.444 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.2 t -146.17 159.78 42.85 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.535 1.534 . . . . 0.0 110.067 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.41 120.57 40.76 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.306 1.442 . . . . 0.0 109.906 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 164.21 28.63 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.577 1.551 . . . . 0.0 111.268 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.03 -38.28 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.399 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -153.53 171.47 18.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.182 1.793 . . . . 0.0 112.063 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.81 59.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.693 1.197 . . . . 0.0 113.395 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -36.18 59.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.558 1.143 . . . . 0.0 111.301 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -69.61 -44.43 70.71 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.807 -1.183 . . . . 0.0 111.78 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.16 84.77 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.628 -1.295 . . . . 0.0 113.437 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.34 -39.43 93.06 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.65 0.78 . . . . 0.0 110.732 170.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -68.12 -43.3 78.71 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.972 0.805 . . . . 0.0 113.108 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.08 -1.637 . . . . 0.0 111.368 172.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.4 m-85 -60.0 -42.26 93.87 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.539 -0.726 . . . . 0.0 112.893 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.28 -26.21 67.23 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.437 -0.789 . . . . 0.0 112.737 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.17 -37.4 72.19 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.682 1.583 . . . . 0.0 112.953 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.26 -18.93 54.68 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -133.23 24.37 4.16 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -170.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -64.74 -67.75 0.41 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.19 16.18 0.34 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.58 1.552 . . . . 0.0 114.505 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -58.73 -35.58 72.92 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.203 0.601 . . . . 0.0 112.279 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.27 -30.19 0.03 OUTLIER Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.658 1.423 . . . . 0.0 116.658 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.52 -56.03 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.587 1.194 . . . . 0.0 112.934 -173.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 36.68 47.88 0.59 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.62 -174.98 19.94 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.173 1.368 . . . . 0.0 115.679 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -90.98 118.11 30.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.131 2.173 . . . . 0.0 112.078 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -85.71 143.9 28.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.975 1.31 . . . . 0.0 113.341 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -138.9 154.52 48.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.62 1.968 . . . . 0.0 109.564 174.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -142.62 142.01 32.03 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.964 1.257 . . . . 0.0 112.89 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -117.85 114.06 22.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.749 2.019 . . . . 0.0 112.197 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.19 -11.12 59.5 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.01 53.77 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -128.94 9.2 5.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.668 1.987 . . . . 0.0 114.512 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt 55.47 46.38 23.26 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.904 1.682 . . . . 0.0 113.526 172.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.3 m -133.9 142.75 47.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.077 0.951 . . . . 0.0 112.105 -170.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -108.46 145.84 34.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.575 2.75 . . . . 0.0 109.62 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -135.49 114.87 12.52 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.673 0.789 . . . . 0.0 111.23 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.55 131.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.822 1.249 . . . . 0.0 110.744 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -134.88 139.86 45.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.228 1.411 . . . . 0.0 112.257 -172.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.124 0.97 . . . . 0.0 111.546 171.785 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.68 130.91 40.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.815 0.846 . . . . 0.0 112.044 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.66 158.72 32.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 112.052 170.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -135.48 155.22 50.87 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.708 1.203 . . . . 0.0 112.96 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -133.38 133.71 42.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.315 2.246 . . . . 0.0 110.374 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 42.8 mt -114.45 126.39 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.74 1.616 . . . . 0.0 108.478 171.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 tt -113.56 119.36 37.23 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.711 1.604 . . . . 0.0 108.921 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -120.19 111.12 17.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.628 0.771 . . . . 0.0 109.915 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.99 172.03 21.87 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.377 1.465 . . . . 0.0 114.609 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.56 -26.69 65.54 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 18.5 p -126.01 -19.89 4.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 114.031 -173.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -143.27 142.74 31.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.907 1.683 . . . . 0.0 110.683 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -136.23 151.1 49.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.831 1.252 . . . . 0.0 111.523 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.82 -174.83 46.08 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 115.675 1.03 . . . . 0.0 115.675 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -145.77 138.33 25.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.461 1.905 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -137.96 163.34 31.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.008 0.923 . . . . 0.0 112.741 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -142.06 142.14 32.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.434 1.494 . . . . 0.0 110.439 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 12.3 t -137.13 164.31 28.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.154 1.782 . . . . 0.0 111.321 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.25 109.87 11.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.195 1.398 . . . . 0.0 109.897 171.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.89 168.5 17.75 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.368 1.467 . . . . 0.0 111.389 -170.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.47 -36.41 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.596 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -154.9 169.57 23.71 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.533 1.533 . . . . 0.0 110.325 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.23 -34.31 31.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.856 2.062 . . . . 0.0 112.838 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.29 65.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.614 1.166 . . . . 0.0 112.316 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -73.24 -42.68 62.28 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.901 -1.125 . . . . 0.0 111.701 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.06 97.88 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.814 -1.179 . . . . 0.0 113.051 171.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.38 -41.27 93.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 111.164 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.13 -51.5 67.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.671 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.93 -46.84 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 120.645 1.566 . . . . 0.0 111.275 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.93 -39.15 91.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -71.41 -25.71 62.45 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -71.6 -45.52 61.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.72 1.208 . . . . 0.0 112.019 170.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.72 -45.54 74.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.25 37.01 3.31 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.38 -54.21 49.38 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -166.47 32.37 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.991 1.717 . . . . 0.0 112.9 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -64.69 -33.25 75.5 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.098 -1.001 . . . . 0.0 111.609 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.98 23.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.152 1.834 . . . . 0.0 115.417 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.92 36.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.897 1.679 . . . . 0.0 111.314 -172.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -67.23 39.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.968 2.507 . . . . 0.0 113.71 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.47 -167.94 43.69 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.558 2.028 . . . . 0.0 115.081 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.02 124.68 24.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.84 1.256 . . . . 0.0 111.247 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -90.56 144.56 25.66 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.087 0.955 . . . . 0.0 111.645 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 29.0 m -138.88 153.84 48.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.041 2.136 . . . . 0.0 109.118 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -144.32 136.12 26.0 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.78 1.173 . . . . 0.0 111.794 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.08 107.37 13.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.558 1.943 . . . . 0.0 110.512 173.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.91 -27.03 63.49 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.068 0.947 . . . . 0.0 113.46 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -16.67 11.96 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.457 1.903 . . . . 0.0 114.609 171.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.1 p -129.05 0.96 5.25 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.53 1.932 . . . . 0.0 113.778 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt 41.37 36.14 0.49 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.862 1.665 . . . . 0.0 113.865 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -120.5 133.92 55.34 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.204 0.526 . . . . 0.0 111.573 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -102.31 145.51 29.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.477 2.311 . . . . 0.0 108.886 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 69.5 m -128.26 140.78 51.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.15 0.98 . . . . 0.0 110.092 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.7 t -127.21 130.82 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.924 1.289 . . . . 0.0 109.787 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -134.71 122.49 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.743 0.817 . . . . 0.0 112.461 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 128.526 2.73 . . . . 0.0 109.656 -179.25 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.04 132.63 43.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.19 0.996 . . . . 0.0 111.095 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -124.87 160.17 29.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 111.701 170.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.9 155.31 50.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 112.832 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.25 135.82 43.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.495 2.718 . . . . 0.0 110.472 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -118.26 129.1 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.64 1.576 . . . . 0.0 109.697 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.3 tp -109.27 119.36 39.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.679 1.591 . . . . 0.0 111.346 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -120.01 133.54 55.51 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.697 1.599 . . . . 0.0 110.329 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.22 171.02 39.59 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.632 1.111 . . . . 0.0 114.321 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.4 -36.09 46.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.728 1.211 . . . . 0.0 113.809 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 p -94.71 -25.44 16.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.75 1.22 . . . . 0.0 114.164 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -151.75 149.2 28.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.141 1.376 . . . . 0.0 111.869 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.19 159.06 42.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.59 1.556 . . . . 0.0 108.935 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.26 -174.2 44.29 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 116.999 1.559 . . . . 0.0 116.999 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -146.78 132.22 18.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.707 2.003 . . . . 0.0 111.527 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -135.97 160.21 39.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.92 142.31 29.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.923 1.289 . . . . 0.0 110.765 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 t -146.32 160.95 41.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.703 1.601 . . . . 0.0 110.375 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.77 125.62 54.19 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.318 1.447 . . . . 0.0 109.852 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.25 166.62 23.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.269 1.427 . . . . 0.0 111.542 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -64.14 -44.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.617 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -150.06 168.79 22.86 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.76 1.624 . . . . 0.0 111.673 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.13 -28.92 11.99 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 126.859 2.063 . . . . 0.0 113.108 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.65 43.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.006 1.322 . . . . 0.0 112.084 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -69.95 -42.69 72.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.295 -1.503 . . . . 0.0 111.914 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.88 86.23 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.842 -1.161 . . . . 0.0 113.001 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -62.94 -39.58 95.03 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.297 0.639 . . . . 0.0 110.825 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.17 -45.31 77.37 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.13 0.877 . . . . 0.0 113.147 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.2 -50.03 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 120.355 -1.465 . . . . 0.0 111.114 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.2 m-85 -59.4 -41.68 90.0 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 177.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -68.97 -20.55 64.18 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -72.95 -47.46 45.28 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.563 -1.336 . . . . 0.0 113.1 170.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -67.4 -34.01 76.37 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 119.252 0.933 . . . . 0.0 112.729 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.25 65.0 m-85 -113.94 32.78 5.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.699 1.6 . . . . 0.0 114.304 -171.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -56.26 -44.18 79.45 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.668 1.187 . . . . 0.0 114.134 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -156.01 -61.13 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.287 1.435 . . . . 0.0 112.175 169.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 49.74 30.31 3.67 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 125.701 1.6 . . . . 0.0 114.093 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.71 21.63 58.44 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.608 1.575 . . . . 0.0 115.201 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -119.38 -36.31 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.018 1.727 . . . . 0.0 111.421 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 33.6 44.63 0.08 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 128.108 2.563 . . . . 0.0 116.756 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.51 45.17 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.2 116.74 7.6 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 0.0 110.771 169.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -80.03 139.51 36.92 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.794 0.807 . . . . 0.0 111.08 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 m -138.9 152.45 47.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.657 1.983 . . . . 0.0 109.344 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -144.6 137.13 26.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -118.08 101.33 8.16 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.096 2.158 . . . . 0.0 110.879 172.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.71 -41.07 76.77 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.248 1.419 . . . . 0.0 113.775 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -19.15 28.48 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.3 1.44 . . . . 0.0 114.849 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.72 12.8 6.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.691 1.996 . . . . 0.0 112.638 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 46.49 40.83 8.72 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.474 1.91 . . . . 0.0 113.62 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 m -125.63 134.76 51.77 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -101.83 145.95 28.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.407 3.083 . . . . 0.0 110.168 173.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.3 m -128.98 146.25 51.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.863 0.865 . . . . 0.0 110.366 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.99 124.67 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 109.752 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -135.02 139.87 45.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.679 1.592 . . . . 0.0 113.355 -176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-N 120.186 1.357 . . . . 0.0 111.496 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -74.54 128.78 36.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.538 0.735 . . . . 0.0 111.13 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.64 158.5 32.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.675 1.59 . . . . 0.0 111.782 172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -135.47 155.36 50.66 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.736 1.215 . . . . 0.0 112.768 -175.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -132.58 111.09 10.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.567 2.347 . . . . 0.0 110.534 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -88.35 128.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 109.406 171.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.7 119.75 40.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.418 1.887 . . . . 0.0 110.663 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.96 134.85 54.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.412 1.085 . . . . 0.0 110.256 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.15 -177.26 40.3 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.203 1.382 . . . . 0.0 114.306 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.3 4.53 26.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.8 1.64 . . . . 0.0 113.715 -171.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.3 m -132.89 -42.84 0.9 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.76 1.624 . . . . 0.0 111.472 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.27 145.44 34.03 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.25 1.42 . . . . 0.0 110.628 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -137.16 156.98 47.68 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 111.33 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.51 -169.69 42.8 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.85 138.23 26.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.969 2.107 . . . . 0.0 111.124 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.5 p -135.34 157.95 45.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.036 0.935 . . . . 0.0 112.318 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 141.41 29.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.895 1.278 . . . . 0.0 111.32 -169.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.99 166.19 25.38 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.302 1.841 . . . . 0.0 111.485 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -129.26 110.13 11.71 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.202 1.401 . . . . 0.0 110.007 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.73 17.01 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.694 1.598 . . . . 0.0 111.246 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.16 -39.27 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.764 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -150.82 169.03 22.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.487 1.515 . . . . 0.0 110.443 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.49 21.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.038 2.135 . . . . 0.0 113.012 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.84 55.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.824 1.249 . . . . 0.0 112.841 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -76.76 -42.43 40.96 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.872 -1.143 . . . . 0.0 111.058 172.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.12 91.1 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.014 -1.054 . . . . 0.0 112.698 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -60.12 -39.64 86.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.038 0.935 . . . . 0.0 111.511 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.68 -43.22 89.93 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.57 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.324 -1.485 . . . . 0.0 111.509 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.33 -41.13 92.93 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.367 -0.833 . . . . 0.0 112.873 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -71.24 -20.53 62.23 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.93 -47.42 52.59 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.1 -1.0 . . . . 0.0 112.672 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -69.98 -39.57 75.88 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.569 1.077 . . . . 0.0 112.794 174.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -103.43 31.28 4.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.724 1.61 . . . . 0.0 113.341 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -54.88 -34.04 62.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.471 1.508 . . . . 0.0 114.873 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -159.6 -71.54 0.08 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.958 1.303 . . . . 0.0 112.619 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 45.51 23.62 0.14 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.196 2.198 . . . . 0.0 115.453 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.47 10.44 17.01 Favored Glycine 0 CA--C 1.546 1.972 0 C-N-CA 126.965 2.221 . . . . 0.0 114.649 -169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -81.09 -51.64 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.04 1.736 . . . . 0.0 109.648 172.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 35.25 42.63 0.11 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.512 2.325 . . . . 0.0 114.645 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.04 53.36 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.338 1.447 . . . . 0.0 116.288 -169.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.3 144.19 40.4 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.718 1.607 . . . . 0.0 111.39 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -109.09 142.02 40.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.323 1.449 . . . . 0.0 112.671 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 156.75 46.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.739 2.016 . . . . 0.0 110.122 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.44 135.78 22.84 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.939 1.245 . . . . 0.0 112.778 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.22 113.95 22.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.563 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.87 -31.82 59.43 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.36 7.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.034 1.334 . . . . 0.0 114.581 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -129.13 12.11 6.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.084 1.753 . . . . 0.0 113.705 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm 37.74 42.31 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.579 1.952 . . . . 0.0 114.524 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -128.76 138.91 52.36 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.544 0.688 . . . . 0.0 112.375 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -101.67 145.71 28.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.615 2.366 . . . . 0.0 109.713 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.8 m -131.18 125.12 32.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.72 0.808 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.46 128.79 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 110.034 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -134.94 139.68 45.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 0.0 112.019 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.305 170.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.03 134.54 44.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 111.187 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -124.84 159.85 30.11 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.05 1.74 . . . . 0.0 111.438 170.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -134.88 152.78 52.04 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.704 1.202 . . . . 0.0 113.085 -175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -130.81 129.72 42.74 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.382 2.273 . . . . 0.0 110.087 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.9 mt -110.68 128.15 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.467 1.507 . . . . 0.0 108.609 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -113.59 119.2 36.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.202 1.401 . . . . 0.0 110.995 -173.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.04 115.19 23.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.879 1.671 . . . . 0.0 110.655 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 177.25 32.53 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.667 1.127 . . . . 0.0 114.618 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.14 -38.5 8.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.273 1.429 . . . . 0.0 111.564 -176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 m -77.42 -33.57 54.92 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.367 1.467 . . . . 0.0 112.487 172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -151.86 151.77 31.73 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.173 1.389 . . . . 0.0 111.863 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -136.44 157.09 47.61 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.233 1.813 . . . . 0.0 109.803 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.39 -173.89 45.87 Favored Glycine 0 N--CA 1.477 1.399 0 N-CA-C 117.031 1.573 . . . . 0.0 117.031 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.84 136.53 24.28 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 126.575 1.95 . . . . 0.0 111.482 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -139.0 161.6 36.97 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.177 0.991 . . . . 0.0 113.66 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 141.52 27.17 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.09 1.356 . . . . 0.0 111.328 -172.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.431 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -145.88 166.05 27.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.118 1.767 . . . . 0.0 110.634 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -120.76 126.29 49.76 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.242 1.417 . . . . 0.0 110.867 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.23 167.88 20.46 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.112 1.765 . . . . 0.0 111.292 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.07 -39.73 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.313 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.98 172.39 16.89 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.3 1.44 . . . . 0.0 112.439 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.22 -31.94 61.87 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.957 1.303 . . . . 0.0 114.069 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.29 -32.41 49.4 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 120.114 1.325 . . . . 0.0 111.543 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.7 m -68.99 -45.07 71.53 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.511 -1.368 . . . . 0.0 111.796 169.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.73 -36.71 83.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.434 -1.416 . . . . 0.0 113.6 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -62.52 -42.03 99.25 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.314 0.646 . . . . 0.0 111.06 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.96 -45.77 87.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.643 -0.661 . . . . 0.0 112.215 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.7 -52.82 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 O-C-N 120.947 -1.095 . . . . 0.0 111.314 174.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.8 m-85 -60.47 -35.94 77.09 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -67.67 -26.25 66.1 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 172.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.56 -40.71 96.07 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.125 1.33 . . . . 0.0 112.654 176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -83.67 -34.91 24.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.596 1.158 . . . . 0.0 113.395 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -121.43 53.99 1.14 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 118.107 2.632 . . . . 0.0 118.107 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -116.77 -42.5 2.96 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -145.15 13.53 1.44 Allowed 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -170.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -56.25 -37.28 69.56 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 122.243 1.02 . . . . 0.0 111.519 169.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.55 -24.73 0.14 Allowed Glycine 0 CA--C 1.534 1.254 0 C-N-CA 127.907 2.67 . . . . 0.0 114.801 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.94 -54.51 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.489 1.144 . . . . 0.0 113.806 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 35.42 42.83 0.12 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 126.573 1.949 . . . . 0.0 114.309 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.86 175.13 35.09 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 -169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.88 119.04 23.89 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.096 1.758 . . . . 0.0 112.307 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -81.21 144.63 31.46 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.291 1.036 . . . . 0.0 113.593 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 m -138.89 154.68 48.4 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 127.709 2.404 . . . . 0.0 109.36 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -144.35 138.31 27.74 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.819 1.191 . . . . 0.0 113.154 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.1 104.77 11.17 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.134 2.174 . . . . 0.0 110.91 172.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.09 -34.8 78.37 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.538 1.535 . . . . 0.0 114.25 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.49 -17.74 55.92 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -128.96 12.81 6.23 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.765 2.026 . . . . 0.0 113.595 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 43.12 45.24 4.63 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.938 1.695 . . . . 0.0 114.647 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 m -127.94 137.26 52.2 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -171.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -107.46 145.77 32.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 129.099 2.96 . . . . 0.0 109.711 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.5 m -135.26 122.53 21.67 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.017 0.927 . . . . 0.0 111.265 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.3 t -115.61 124.61 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 125.691 1.596 . . . . 0.0 110.634 -174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.9 m -135.06 115.83 13.91 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.24 2.681 . . . . 0.0 118.24 -169.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 C-N-CA 124.776 1.231 . . . . 0.0 111.344 169.556 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.9 ttp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.71 132.77 43.03 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.567 0.747 . . . . 0.0 111.858 177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.7 159.72 30.21 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.007 1.723 . . . . 0.0 111.657 170.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.52 155.27 50.76 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.655 1.182 . . . . 0.0 112.688 -172.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -133.32 135.26 44.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.502 2.321 . . . . 0.0 110.03 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 56.2 mt -119.43 129.87 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.701 1.6 . . . . 0.0 108.846 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.7 tp -112.61 119.69 39.01 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.221 1.808 . . . . 0.0 110.562 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -119.64 131.55 55.48 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.668 1.187 . . . . 0.0 109.725 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.57 -173.41 43.91 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 115.335 0.894 . . . . 0.0 115.335 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -111.98 -12.62 13.71 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.869 1.668 . . . . 0.0 113.58 -173.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 45.6 m -113.56 -26.72 8.15 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.631 1.573 . . . . 0.0 112.336 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -151.44 144.48 24.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 111.374 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -131.57 151.61 51.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.022 1.329 . . . . 0.0 109.63 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.57 -173.48 44.42 Favored Glycine 0 N--CA 1.471 0.985 0 N-CA-C 116.144 1.218 . . . . 0.0 116.144 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -147.57 137.19 22.69 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.805 2.042 . . . . 0.0 110.958 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.0 p -139.32 165.76 26.34 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.321 1.048 . . . . 0.0 113.03 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.33 145.5 30.35 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.998 1.319 . . . . 0.0 111.181 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.436 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.2 t -143.87 166.14 25.76 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.949 1.7 . . . . 0.0 111.276 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.48 112.84 16.05 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.326 1.45 . . . . 0.0 109.995 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.7 166.28 21.08 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.311 1.444 . . . . 0.0 111.936 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.9 p -71.26 -38.08 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.55 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -155.24 168.62 26.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.352 1.461 . . . . 0.0 109.495 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.02 -28.22 36.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.899 1.679 . . . . 0.0 112.693 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.45 -39.26 62.66 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.746 1.218 . . . . 0.0 111.892 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 43.9 m -70.93 -42.77 69.42 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.894 -1.129 . . . . 0.0 111.988 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.47 -39.81 88.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.832 -1.168 . . . . 0.0 113.561 172.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.25 -39.17 93.85 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.1 170.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -66.86 -43.8 82.64 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.68 -52.18 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.288 -1.507 . . . . 0.0 111.27 171.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.436 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.0 m-85 -61.07 -35.82 77.97 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -73.53 -20.42 60.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -72.8 -43.25 63.0 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 120.546 -1.346 . . . . 0.0 112.274 170.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -73.85 -40.82 62.99 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 121.19 -0.943 . . . . 0.0 112.625 175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -110.56 33.54 4.47 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.727 1.611 . . . . 0.0 114.204 -171.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -55.62 -42.91 75.58 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -155.24 -71.24 0.12 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.5 1.52 . . . . 0.0 111.239 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 48.38 28.62 1.71 Allowed 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 126.306 1.842 . . . . 0.0 114.846 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.32 2.43 7.13 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 127.843 2.64 . . . . 0.0 115.672 -171.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.3 -53.34 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.866 1.333 . . . . 0.0 109.851 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.99 42.56 0.46 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.141 2.176 . . . . 0.0 114.23 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.88 169.75 54.72 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.589 1.09 . . . . 0.0 114.572 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -72.58 137.58 46.27 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.786 1.235 . . . . 0.0 110.743 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -101.78 141.59 34.39 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.713 1.205 . . . . 0.0 112.033 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -138.77 152.77 48.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.87 2.068 . . . . 0.0 109.489 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -143.4 137.17 28.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.964 1.257 . . . . 0.0 111.844 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -117.98 111.77 19.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.781 2.032 . . . . 0.0 109.676 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.57 -34.14 62.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.499 0.72 . . . . 0.0 112.818 -176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.81 -12.05 6.59 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 125.769 1.628 . . . . 0.0 114.879 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -129.34 12.63 6.02 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.788 1.635 . . . . 0.0 114.218 169.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 40.07 41.3 0.9 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.536 1.934 . . . . 0.0 114.954 -174.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.4 m -126.02 136.88 53.48 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 121.714 -0.617 . . . . 0.0 112.414 -170.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -104.25 145.59 30.01 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.558 2.343 . . . . 0.0 109.195 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.2 m -131.43 134.44 46.22 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.968 0.907 . . . . 0.0 109.943 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 t -123.44 127.09 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.403 1.481 . . . . 0.0 109.251 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.78 136.35 42.51 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.85 0.86 . . . . 0.0 112.648 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.485 1.304 0 C-N-CA 124.281 1.032 . . . . 0.0 111.899 170.023 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.03 133.12 44.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.213 1.005 . . . . 0.0 111.412 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 159.26 31.5 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.216 1.806 . . . . 0.0 111.774 170.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -135.25 155.21 51.03 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.506 1.123 . . . . 0.0 113.106 -174.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -133.37 125.26 28.76 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.892 2.477 . . . . 0.0 110.783 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.2 mt -106.73 124.82 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.205 1.402 . . . . 0.0 109.346 175.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 tp -113.66 115.94 28.67 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.302 1.441 . . . . 0.0 110.968 -171.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -120.2 112.89 19.65 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.13 1.772 . . . . 0.0 111.587 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 169.52 33.57 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.759 1.171 . . . . 0.0 114.438 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -79.32 -36.67 39.19 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.498 1.119 . . . . 0.0 113.283 -175.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.3 p -88.85 -26.86 21.41 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.12 1.368 . . . . 0.0 113.916 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.86 147.28 26.43 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.206 1.402 . . . . 0.0 111.784 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -136.19 158.91 43.28 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.933 1.693 . . . . 0.0 109.994 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.87 -174.63 46.79 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 116.918 1.527 . . . . 0.0 116.918 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -144.65 129.23 18.08 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.723 2.009 . . . . 0.0 111.481 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 p -134.85 159.3 41.83 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.73 141.13 29.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 111.064 -170.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -142.98 166.05 25.7 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.036 1.735 . . . . 0.0 110.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -121.19 121.63 38.22 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.064 1.746 . . . . 0.0 109.84 174.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 164.7 27.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.384 1.474 . . . . 0.0 111.262 -170.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.1 -40.94 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.764 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -150.08 167.61 26.28 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.803 1.241 . . . . 0.0 112.939 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.21 -28.73 28.35 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.163 1.785 . . . . 0.0 112.657 174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.95 -41.91 61.32 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.823 1.649 . . . . 0.0 111.662 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -68.54 -46.32 69.81 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.56 -1.338 . . . . 0.0 112.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.22 90.14 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.96 -1.087 . . . . 0.0 113.376 176.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -70.7 -31.2 67.98 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.086 -0.959 . . . . 0.0 112.517 170.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.67 -48.47 79.15 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.189 1.359 . . . . 0.0 110.984 171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.66 -51.38 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 121.346 -0.846 . . . . 0.0 111.264 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -61.02 -39.47 89.9 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -69.41 -20.43 63.8 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -71.8 -41.26 68.49 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 119.972 -1.705 . . . . 0.0 112.605 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -81.17 -25.01 37.14 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -133.6 117.52 17.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.971 1.308 . . . . 0.0 112.238 -175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -161.86 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.852 0.861 . . . . 0.0 112.877 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.86 10.8 2.01 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.597 1.959 . . . . 0.0 114.04 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -57.46 -35.91 70.77 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.23 1.012 . . . . 0.0 111.44 169.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.97 -36.38 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 117.724 1.85 . . . . 0.0 117.724 172.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 p -68.86 -47.5 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 118.922 1.361 . . . . 0.0 113.463 -172.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.12 44.21 0.39 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.417 1.887 . . . . 0.0 114.437 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.88 176.35 24.78 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.14 1.352 . . . . 0.0 116.25 -169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -79.28 133.93 36.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.564 1.945 . . . . 0.0 111.768 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -95.28 144.96 25.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.4 1.48 . . . . 0.0 113.465 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.3 m -138.95 155.85 47.71 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.902 1.681 . . . . 0.0 110.04 171.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -143.61 139.87 29.87 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.675 1.19 . . . . 0.0 112.493 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -118.07 106.49 12.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.652 1.981 . . . . 0.0 110.739 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.29 -31.62 72.25 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.99 1.716 . . . . 0.0 113.205 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.72 -27.06 58.48 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.263 1.425 . . . . 0.0 113.286 176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.1 p -128.75 8.86 5.82 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.679 1.592 . . . . 0.0 112.737 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 39.74 42.12 0.93 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.536 1.934 . . . . 0.0 114.018 -172.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -129.1 134.58 48.13 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.994 0.902 . . . . 0.0 112.658 -171.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.15 145.81 28.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.323 2.649 . . . . 0.0 109.904 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -125.4 144.59 50.44 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.099 0.959 . . . . 0.0 110.092 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.95 122.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 126.29 1.836 . . . . 0.0 108.903 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 m -134.71 139.67 45.38 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 124.297 1.039 . . . . 0.0 111.373 169.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.6 tpp . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 110.627 -0.138 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -78.79 130.5 35.8 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.018 0.927 . . . . 0.0 111.309 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -124.69 161.8 25.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.109 1.764 . . . . 0.0 111.777 172.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.5 155.28 50.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.936 1.294 . . . . 0.0 112.906 -171.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -134.67 125.2 26.61 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.366 2.266 . . . . 0.0 110.757 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.8 mt -105.87 128.57 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.428 1.491 . . . . 0.0 109.162 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 60.7 tp -110.71 119.77 40.21 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.188 1.795 . . . . 0.0 110.519 -177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -119.25 131.73 55.83 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.904 0.882 . . . . 0.0 109.118 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.18 -177.06 48.33 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.233 0.92 . . . . 0.0 114.439 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -106.8 -29.8 9.3 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.949 1.3 . . . . 0.0 112.767 -170.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.6 p -76.75 -44.28 33.76 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.561 1.144 . . . . 0.0 111.128 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.45 146.02 30.43 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.403 1.481 . . . . 0.0 112.496 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -130.47 151.97 50.37 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.099 1.36 . . . . 0.0 109.747 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.84 43.58 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 116.757 1.463 . . . . 0.0 116.757 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -146.3 133.9 20.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.932 2.093 . . . . 0.0 111.156 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -135.21 165.73 24.74 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.222 1.009 . . . . 0.0 112.948 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -145.63 145.7 31.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.376 1.47 . . . . 0.0 110.425 -171.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.425 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 9.9 t -142.93 165.36 27.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.958 1.703 . . . . 0.0 111.11 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -122.65 119.73 31.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.686 1.595 . . . . 0.0 108.283 172.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.29 154.95 50.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.781 1.632 . . . . 0.0 112.328 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.37 -35.2 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 122.962 0.505 . . . . 0.0 111.962 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -155.92 172.5 18.26 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.941 1.696 . . . . 0.0 110.626 172.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -30.49 49.67 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.74 1.616 . . . . 0.0 112.937 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.87 78.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.301 1.841 . . . . 0.0 112.586 176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.2 m -77.97 -37.05 48.27 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.638 -0.664 . . . . 0.0 111.448 172.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.8 99.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.421 -1.425 . . . . 0.0 113.645 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.54 -32.89 73.99 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 118.834 -0.603 . . . . 0.0 112.529 170.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.87 -47.55 84.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.827 0.739 . . . . 0.0 112.012 170.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.11 -52.02 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 121.136 -0.978 . . . . 0.0 111.645 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.7 m-85 -62.43 -35.44 79.26 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.9 -32.24 70.45 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.394 -0.816 . . . . 0.0 112.294 172.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -33.94 73.59 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.79 -1.194 . . . . 0.0 112.685 172.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -88.02 -29.24 20.86 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.27 7.99 3.96 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 120.153 3.39 . . . . 0.0 120.153 -169.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -68.41 -28.87 67.47 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 122.337 2.335 . . . . 0.0 116.59 -172.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -157.01 28.2 0.31 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.67 -36.35 78.53 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-O 122.232 1.015 . . . . 0.0 110.897 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.83 -21.61 0.11 Allowed Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.294 1.677 . . . . 0.0 117.294 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.81 -34.43 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 36.48 37.48 0.06 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.078 2.151 . . . . 0.0 114.495 -169.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.86 174.95 50.79 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 125.278 1.418 . . . . 0.0 116.287 -169.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.13 135.61 47.74 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.708 1.603 . . . . 0.0 111.281 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -104.07 140.27 38.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.086 1.354 . . . . 0.0 111.481 173.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -138.89 157.37 46.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.915 2.086 . . . . 0.0 109.71 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -143.66 137.89 28.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.791 1.236 . . . . 0.0 112.44 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.11 109.11 16.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.132 2.173 . . . . 0.0 110.095 172.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.76 -35.57 70.12 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.36 12.44 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.199 1.799 . . . . 0.0 115.308 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.3 t -129.28 12.1 5.98 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.748 1.619 . . . . 0.0 114.854 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 45.93 32.24 1.28 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.893 1.677 . . . . 0.0 113.721 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 88.7 m -119.13 134.66 55.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 121.18 -0.95 . . . . 0.0 113.127 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -100.84 145.7 28.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.048 2.539 . . . . 0.0 110.031 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -126.95 138.37 53.27 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.818 0.847 . . . . 0.0 110.838 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 89.0 t -119.96 130.08 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.507 1.923 . . . . 0.0 109.384 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 94.4 m -134.66 121.33 20.69 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.683 0.793 . . . . 0.0 111.401 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 126.136 1.774 . . . . 0.0 112.477 177.45 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -72.91 134.38 44.76 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.996 0.918 . . . . 0.0 111.477 173.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -124.86 157.61 35.49 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.369 1.867 . . . . 0.0 111.545 170.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -132.8 155.25 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.603 1.161 . . . . 0.0 112.533 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.51 133.4 45.06 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.975 2.51 . . . . 0.0 110.17 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.6 mt -115.61 123.88 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.686 1.594 . . . . 0.0 109.327 176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tt -109.84 117.99 35.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.246 1.418 . . . . 0.0 110.529 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -120.24 110.97 17.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.917 1.687 . . . . 0.0 110.767 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.0 172.71 31.98 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.18 0.895 . . . . 0.0 114.897 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -77.64 -33.7 53.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.874 1.27 . . . . 0.0 112.99 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 p -83.83 -29.66 27.12 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.827 1.651 . . . . 0.0 114.068 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -151.87 149.36 28.89 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.017 1.327 . . . . 0.0 112.472 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -140.75 138.97 34.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.816 1.246 . . . . 0.0 109.521 169.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.02 -170.59 43.74 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.271 1.269 . . . . 0.0 116.271 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -145.74 145.3 30.8 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.671 1.589 . . . . 0.0 113.244 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 p -136.58 161.95 34.48 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 142.67 31.87 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.151 1.38 . . . . 0.0 110.811 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.5 t -145.99 166.16 26.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.708 1.603 . . . . 0.0 110.587 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -120.84 127.77 52.22 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.081 1.352 . . . . 0.0 110.565 169.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.22 166.0 24.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 126.112 1.765 . . . . 0.0 111.18 -172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.83 -40.43 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.174 174.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -155.29 170.02 22.84 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.167 1.387 . . . . 0.0 110.498 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.08 -26.67 17.01 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.006 1.723 . . . . 0.0 113.207 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.9 61.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.241 1.416 . . . . 0.0 111.372 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.2 m -70.47 -43.18 70.34 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 120.834 -1.166 . . . . 0.0 112.224 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.87 88.58 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.636 -1.29 . . . . 0.0 113.739 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -71.38 -31.18 67.0 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.643 170.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.36 -46.44 86.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.809 1.186 . . . . 0.0 111.194 172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.44 -53.12 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 O-C-N 121.225 -0.922 . . . . 0.0 111.01 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -60.11 -38.23 82.36 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.46 -25.29 65.82 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.548 -0.72 . . . . 0.0 112.575 173.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.9 -39.7 87.52 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 119.601 -1.937 . . . . 0.0 112.43 172.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -78.55 -26.75 45.74 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -132.28 30.4 4.2 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -62.02 -56.42 19.19 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -158.05 25.67 0.26 Allowed 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 -170.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -55.92 -42.5 76.2 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 122.288 1.042 . . . . 0.0 112.002 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.57 -31.76 0.07 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 117.301 1.68 . . . . 0.0 117.301 175.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.1 -44.1 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 117.998 0.899 . . . . 0.0 112.347 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.9 t0 37.56 40.76 0.25 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.865 2.066 . . . . 0.0 114.27 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.96 169.8 52.33 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.499 0.959 . . . . 0.0 115.499 -169.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.89 121.68 18.55 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 110.279 169.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -82.23 142.27 32.29 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.904 0.882 . . . . 0.0 111.826 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.3 m -139.21 157.88 45.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.378 1.871 . . . . 0.0 109.987 173.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -143.09 141.32 31.22 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.867 1.267 . . . . 0.0 113.16 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -117.97 116.59 27.22 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.714 2.406 . . . . 0.0 111.904 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.52 -25.67 33.2 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.65 -25.74 68.28 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.505 0.722 . . . . 0.0 112.407 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.1 p -128.66 1.32 5.5 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.607 1.563 . . . . 0.0 113.511 -171.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt 54.81 38.91 31.03 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.741 1.617 . . . . 0.0 112.558 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -124.28 135.94 53.77 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.712 0.768 . . . . 0.0 111.991 -170.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -106.65 145.67 31.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.965 2.506 . . . . 0.0 109.99 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.4 m -128.87 144.26 51.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.944 0.898 . . . . 0.0 110.237 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.96 121.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 126.293 1.837 . . . . 0.0 108.738 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.9 m -134.9 139.61 45.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.528 1.131 . . . . 0.0 113.972 -172.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 124.097 0.959 . . . . 0.0 111.198 169.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.8 tpp . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.03 132.99 39.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.851 0.86 . . . . 0.0 111.236 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.58 157.22 35.95 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.483 1.513 . . . . 0.0 112.015 170.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -135.4 153.95 51.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.643 1.177 . . . . 0.0 112.339 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -130.2 130.62 44.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.39 2.276 . . . . 0.0 110.086 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 47.0 mt -115.3 123.97 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.655 1.582 . . . . 0.0 108.589 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 tp -113.62 119.3 36.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.685 1.594 . . . . 0.0 109.938 -173.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -120.19 113.41 20.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.182 1.393 . . . . 0.0 109.663 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.5 173.04 34.31 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 123.945 0.783 . . . . 0.0 114.28 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -88.73 -39.87 13.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.705 1.202 . . . . 0.0 111.68 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.4 m -66.7 -51.35 57.07 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.194 1.398 . . . . 0.0 111.166 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -145.81 149.13 33.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.963 1.305 . . . . 0.0 112.111 -175.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -130.22 156.58 44.37 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.198 1.799 . . . . 0.0 109.917 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.21 -178.32 48.26 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 116.912 1.525 . . . . 0.0 116.912 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -148.59 128.75 13.69 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 127.257 2.223 . . . . 0.0 111.247 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.0 p -137.56 163.76 30.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.124 0.97 . . . . 0.0 113.119 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.75 144.5 31.85 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.24 1.416 . . . . 0.0 111.267 -172.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -145.36 166.29 26.01 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.464 1.906 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -116.92 131.33 56.98 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.52 1.128 . . . . 0.0 110.114 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.49 159.87 40.47 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.995 1.718 . . . . 0.0 112.169 -174.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -69.51 -37.53 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.335 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -154.67 168.33 27.15 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.911 1.685 . . . . 0.0 110.816 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.36 -34.83 35.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.174 1.79 . . . . 0.0 112.535 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.13 -28.31 65.27 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.855 1.262 . . . . 0.0 113.236 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -81.21 -44.68 17.45 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.215 -0.928 . . . . 0.0 111.358 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.58 99.29 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.754 -1.216 . . . . 0.0 113.361 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -60.45 -42.33 95.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.843 0.857 . . . . 0.0 110.911 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.94 -43.71 95.05 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.31 -48.71 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 120.441 -1.412 . . . . 0.0 112.058 173.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -63.21 -37.23 86.42 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.784 -1.198 . . . . 0.0 113.381 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.04 -20.53 60.97 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -72.68 -35.84 67.76 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.862 0.865 . . . . 0.0 112.372 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -81.3 -36.85 29.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -115.75 30.03 7.61 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -169.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -53.33 -37.82 62.66 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -158.31 -59.91 0.08 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 126.206 1.802 . . . . 0.0 110.285 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 63.99 -72.83 0.05 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 130.012 3.325 . . . . 0.0 112.895 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.78 16.6 0.12 Allowed Glycine 0 CA--C 1.532 1.124 0 C-N-CA 125.514 1.53 . . . . 0.0 114.992 175.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.01 -29.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -173.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 39.39 47.38 1.51 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.696 1.598 . . . . 0.0 113.744 -175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 160.69 42.65 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.274 0.94 . . . . 0.0 115.157 -169.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -73.57 121.06 20.04 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.81 1.644 . . . . 0.0 110.65 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -84.95 140.16 31.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.792 0.837 . . . . 0.0 111.821 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.95 154.29 48.3 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 127.303 2.241 . . . . 0.0 109.201 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -143.95 139.15 28.95 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.612 1.096 . . . . 0.0 112.421 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -118.04 113.14 21.18 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.002 2.121 . . . . 0.0 109.776 171.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -74.23 -33.72 63.44 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.534 -0.729 . . . . 0.0 112.836 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.69 -19.83 2.68 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.203 2.201 . . . . 0.0 115.191 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 27.2 p -129.01 6.63 5.45 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.531 1.933 . . . . 0.0 113.824 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 38.05 40.19 0.29 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.09 1.756 . . . . 0.0 114.308 -170.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.0 m -126.08 136.9 53.47 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.704 0.764 . . . . 0.0 112.371 -169.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -104.16 145.58 30.0 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.216 2.207 . . . . 0.0 109.766 176.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 40.4 m -130.14 137.04 49.92 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.264 1.025 . . . . 0.0 110.212 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.35 122.13 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.914 1.686 . . . . 0.0 109.17 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 86.4 m -134.86 140.05 45.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.408 1.083 . . . . 0.0 112.387 -169.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 118.031 -0.985 . . . . 0.0 111.624 169.751 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 tpp . . . . . 0 N--CA 1.486 1.328 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.0 133.6 44.34 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.974 0.91 . . . . 0.0 110.969 172.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.84 156.71 37.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.787 1.635 . . . . 0.0 111.572 171.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.64 154.65 49.88 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.664 1.185 . . . . 0.0 112.701 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.62 115.57 13.99 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.724 2.41 . . . . 0.0 110.426 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -92.64 127.28 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.913 1.285 . . . . 0.0 108.933 172.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.6 tp -107.84 119.11 38.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.069 1.348 . . . . 0.0 111.142 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.99 134.98 55.08 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.428 1.491 . . . . 0.0 109.054 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.91 177.75 47.71 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.471 0.948 . . . . 0.0 115.471 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -98.31 -5.86 32.1 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -128.94 -23.72 3.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.77 2.028 . . . . 0.0 113.818 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 142.57 23.0 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.006 1.722 . . . . 0.0 110.322 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -139.78 148.02 41.62 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.762 1.225 . . . . 0.0 110.611 172.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.35 -167.05 40.22 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.549 1.379 . . . . 0.0 116.549 -172.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -144.24 131.63 20.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.328 1.851 . . . . 0.0 111.208 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 p -134.25 159.11 41.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.315 1.046 . . . . 0.0 112.56 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -146.33 140.95 26.79 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.798 1.239 . . . . 0.0 111.142 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -142.36 165.54 27.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.983 1.713 . . . . 0.0 110.47 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -118.41 122.72 43.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.617 1.567 . . . . 0.0 110.193 171.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.24 166.26 23.84 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.469 1.508 . . . . 0.0 111.326 -172.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.48 -42.3 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.875 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -150.48 167.87 25.88 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.208 1.403 . . . . 0.0 112.001 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.2 -30.92 29.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 113.145 -1.843 . . . . 0.0 112.745 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.28 61.21 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.818 1.247 . . . . 0.0 112.037 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.4 m -69.52 -44.79 70.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.527 -1.358 . . . . 0.0 112.079 172.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.02 87.47 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.757 -1.214 . . . . 0.0 113.29 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.48 -39.89 94.91 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.351 0.66 . . . . 0.0 110.95 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -65.52 -45.71 82.43 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.484 -0.76 . . . . 0.0 112.93 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -58.12 -50.9 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 O-C-N 120.818 -1.176 . . . . 0.0 111.523 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.38 -40.56 91.28 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.313 -0.867 . . . . 0.0 113.072 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.96 -21.33 64.19 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -72.45 -43.68 63.42 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.41 1.459 . . . . 0.0 112.776 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -70.8 -27.96 64.29 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 173.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.96 31.31 6.26 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -171.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.79 -60.66 2.66 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.79 22.59 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 125.997 1.719 . . . . 0.0 113.624 -171.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.84 -32.06 72.36 Favored 'General case' 0 CA--C 1.552 1.057 0 O-C-N 121.108 -0.995 . . . . 0.0 111.55 174.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.78 -21.02 0.03 OUTLIER Glycine 0 N--CA 1.473 1.151 0 N-CA-C 117.607 1.803 . . . . 0.0 117.607 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.74 -62.37 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 118.711 1.255 . . . . 0.0 112.072 -173.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 39.56 41.56 0.77 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.788 1.635 . . . . 0.0 113.709 -171.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.13 -171.31 33.79 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.635 1.588 . . . . 0.0 117.067 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -87.88 118.26 27.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.253 1.821 . . . . 0.0 112.617 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -88.95 143.55 26.79 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.028 1.331 . . . . 0.0 113.513 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -139.01 156.82 46.92 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 127.544 2.337 . . . . 0.0 110.265 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -140.86 141.11 34.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.063 1.301 . . . . 0.0 114.15 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -117.97 118.63 32.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 128.89 2.876 . . . . 0.0 112.369 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -82.73 -28.22 30.61 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.42 -24.87 58.16 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.959 0.904 . . . . 0.0 112.995 176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.9 p -128.7 -6.52 5.13 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.528 1.531 . . . . 0.0 113.704 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? 57.24 44.21 22.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.585 1.554 . . . . 0.0 110.978 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 m -116.99 138.48 51.53 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 113.735 -1.575 . . . . 0.0 112.505 -174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -110.55 145.87 37.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.283 2.633 . . . . 0.0 109.138 174.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -133.51 121.77 22.65 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.479 0.712 . . . . 0.0 111.383 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.61 130.59 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.584 1.554 . . . . 0.0 110.16 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.3 m -134.85 140.07 45.53 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 127.291 2.237 . . . . 0.0 110.851 169.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpt . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -73.05 133.24 44.15 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.794 0.838 . . . . 0.0 111.448 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.66 158.49 33.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.947 1.699 . . . . 0.0 111.903 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -133.68 154.01 51.26 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.81 1.244 . . . . 0.0 112.576 -173.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.27 131.63 44.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.315 2.246 . . . . 0.0 109.863 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 45.4 mt -114.86 126.1 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.839 1.656 . . . . 0.0 108.484 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -111.8 119.48 38.73 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.364 1.466 . . . . 0.0 109.939 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.93 124.36 45.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.073 1.349 . . . . 0.0 109.207 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.15 173.41 45.52 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 115.664 1.026 . . . . 0.0 115.664 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -83.73 -40.96 18.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.968 1.307 . . . . 0.0 113.491 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -82.43 -30.95 29.77 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.52 146.16 25.69 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.088 1.355 . . . . 0.0 112.771 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -131.04 154.85 47.78 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.038 1.735 . . . . 0.0 109.687 169.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.0 -173.96 42.9 Favored Glycine 0 N--CA 1.471 1.021 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -145.96 133.92 21.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.634 1.974 . . . . 0.0 110.683 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.6 p -138.95 165.85 26.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.321 1.048 . . . . 0.0 112.833 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.35 145.31 30.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.381 1.472 . . . . 0.0 111.453 -170.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -146.55 166.31 26.85 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.262 1.825 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -127.39 120.76 29.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.354 1.061 . . . . 0.0 110.76 169.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.19 168.94 17.14 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 126.225 1.81 . . . . 0.0 111.405 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 p -68.98 -40.34 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.546 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.07 170.09 21.97 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.299 1.44 . . . . 0.0 110.256 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.2 -27.61 22.61 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.299 1.84 . . . . 0.0 113.218 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.54 -34.61 58.53 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.773 1.229 . . . . 0.0 112.152 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.1 m -75.79 -41.47 52.8 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.83 -1.169 . . . . 0.0 111.264 172.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.42 86.6 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.774 -1.204 . . . . 0.0 113.332 171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.7 -40.16 96.26 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.753 0.821 . . . . 0.0 111.298 170.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -64.9 -44.55 89.23 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.2 -51.48 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 O-C-N 120.27 -1.519 . . . . 0.0 111.518 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.23 -38.24 82.79 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.3 -20.47 59.09 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.74 -43.59 68.55 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.791 -1.193 . . . . 0.0 111.779 169.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -75.93 -36.73 59.27 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 176.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -114.72 32.31 6.07 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.462 1.505 . . . . 0.0 114.249 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -51.32 -42.87 61.51 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -160.42 -51.71 0.05 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.622 1.969 . . . . 0.0 110.99 169.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.85 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 129.018 2.927 . . . . 0.0 113.267 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.99 29.27 0.65 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 127.118 2.294 . . . . 0.0 112.515 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 t -135.2 -54.12 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.414 1.485 . . . . 0.0 111.517 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 39.52 41.13 0.69 Allowed 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.077 1.751 . . . . 0.0 113.922 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.48 174.85 54.98 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.818 1.199 . . . . 0.0 115.012 -170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.5 141.5 44.9 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.214 1.406 . . . . 0.0 111.251 170.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.94 141.95 37.34 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.212 1.405 . . . . 0.0 112.357 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -138.7 153.16 48.5 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.894 2.078 . . . . 0.0 109.705 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -145.33 144.0 30.48 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.731 1.212 . . . . 0.0 112.402 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.07 114.16 22.69 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.572 1.949 . . . . 0.0 111.427 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.74 -11.37 58.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.455 -1.403 . . . . 0.0 114.398 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.42 -20.11 55.07 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.315 3.0 t -129.71 7.32 5.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt 53.2 39.18 29.26 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.902 1.681 . . . . 0.0 114.033 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.3 m -126.12 139.72 53.15 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.771 1.229 . . . . 0.0 110.749 -172.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.27 145.58 39.72 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.776 2.43 . . . . 0.0 109.108 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.5 m -131.44 135.86 47.49 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.876 0.87 . . . . 0.0 110.29 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.7 t -123.98 123.29 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.45 1.5 . . . . 0.0 109.608 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -134.99 139.91 45.25 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.677 1.191 . . . . 0.0 113.07 -172.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.869 -1.062 . . . . 0.0 111.44 169.77 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.13 131.48 42.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.316 0.647 . . . . 0.0 110.812 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -124.9 159.08 31.97 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.971 1.708 . . . . 0.0 111.76 170.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -134.46 154.91 51.17 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.768 1.227 . . . . 0.0 112.606 -176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.93 129.56 40.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.686 2.395 . . . . 0.0 110.489 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -111.41 124.76 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 125.474 1.509 . . . . 0.0 109.123 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.8 tp -112.14 116.22 30.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.789 1.236 . . . . 0.0 111.069 -172.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.14 114.39 21.88 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.881 1.672 . . . . 0.0 110.758 174.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.29 170.57 35.63 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.466 1.508 . . . . 0.0 114.069 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -86.64 -35.72 19.2 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -172.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -75.69 -46.21 32.58 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.386 0.674 . . . . 0.0 111.61 172.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -144.4 150.18 37.31 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.348 1.459 . . . . 0.0 111.971 -174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.23 158.59 42.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.504 1.922 . . . . 0.0 109.905 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.17 -172.49 44.83 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 116.69 1.436 . . . . 0.0 116.69 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -145.78 133.64 21.25 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 126.597 1.959 . . . . 0.0 111.774 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 p -137.41 158.28 44.74 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 m -143.32 140.47 30.58 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.025 1.33 . . . . 0.0 111.33 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 t -145.17 166.17 26.22 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.915 2.086 . . . . 0.0 111.075 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -124.24 125.7 44.84 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.107 1.363 . . . . 0.0 110.675 169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.19 171.2 14.82 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.218 1.807 . . . . 0.0 111.168 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.16 -40.41 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.186 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -151.24 169.9 20.8 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.523 1.529 . . . . 0.0 112.654 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.13 51.13 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.142 1.377 . . . . 0.0 113.47 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.78 -36.91 49.98 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.3 1.04 . . . . 0.0 111.072 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.5 m -68.95 -44.22 73.43 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.674 -1.266 . . . . 0.0 111.794 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.56 82.09 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.775 -1.203 . . . . 0.0 113.41 172.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -63.74 -39.35 94.07 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.491 0.716 . . . . 0.0 110.691 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -65.81 -44.85 84.4 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.282 -0.886 . . . . 0.0 112.893 175.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -59.31 -51.01 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 120.339 -1.475 . . . . 0.0 111.066 173.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -58.77 -39.85 82.19 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -67.58 -26.24 66.18 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.81 -41.71 67.91 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.159 -1.588 . . . . 0.0 112.732 175.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.07 -34.53 66.3 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 173.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -130.75 116.92 18.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.148 1.379 . . . . 0.0 113.217 -170.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -164.18 -39.16 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -159.8 15.85 0.15 Allowed 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 115.008 1.485 . . . . 0.0 115.008 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -56.73 -39.05 73.24 Favored 'General case' 0 CA--C 1.556 1.195 0 CA-C-O 122.163 0.982 . . . . 0.0 110.706 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.62 30.73 0.03 OUTLIER Glycine 0 N--CA 1.474 1.229 0 N-CA-C 117.866 1.907 . . . . 0.0 117.866 -174.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.1 -49.16 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 42.13 41.89 2.22 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.657 1.583 . . . . 0.0 114.607 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.04 166.85 54.94 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.56 1.076 . . . . 0.0 114.934 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -74.3 123.1 23.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.918 1.287 . . . . 0.0 111.775 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -80.37 141.77 35.06 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.814 0.846 . . . . 0.0 112.398 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 m -138.92 154.59 48.36 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.043 2.137 . . . . 0.0 109.748 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -142.54 136.61 29.46 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.636 1.107 . . . . 0.0 112.685 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -117.95 102.03 8.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 127.009 2.124 . . . . 0.0 110.55 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -29.79 69.8 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -20.85 47.86 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -129.02 12.69 6.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.691 1.997 . . . . 0.0 113.067 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt 42.09 44.1 3.0 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.044 1.738 . . . . 0.0 114.432 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.1 m -128.54 135.92 50.05 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.899 0.857 . . . . 0.0 112.591 -171.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -100.53 145.68 28.02 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.979 2.512 . . . . 0.0 109.707 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.5 m -127.04 148.61 50.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.087 0.955 . . . . 0.0 109.994 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -131.94 122.78 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.086 1.754 . . . . 0.0 108.736 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.8 m -134.84 111.6 10.02 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -175.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.773 1.229 . . . . 0.0 111.711 169.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -77.03 131.16 38.28 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.517 0.727 . . . . 0.0 110.964 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.72 158.41 33.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.869 1.668 . . . . 0.0 111.544 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -135.52 154.23 51.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.706 1.203 . . . . 0.0 112.923 -171.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.62 114.93 13.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.183 2.193 . . . . 0.0 110.986 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -94.76 127.71 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.929 1.291 . . . . 0.0 109.277 173.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.84 119.8 40.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.622 1.969 . . . . 0.0 110.445 -177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -118.3 134.22 55.22 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.209 1.004 . . . . 0.0 108.989 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.33 48.45 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 -173.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -105.36 -41.08 5.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.393 1.477 . . . . 0.0 112.016 -173.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 44.3 m -75.29 -31.8 60.81 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.698 1.199 . . . . 0.0 112.566 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -151.55 146.96 26.25 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.53 1.132 . . . . 0.0 113.255 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -132.61 150.16 52.2 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.272 1.429 . . . . 0.0 109.098 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.13 -174.55 45.96 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.619 1.408 . . . . 0.0 116.619 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -146.76 134.22 20.82 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.993 2.117 . . . . 0.0 110.866 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.8 p -136.69 164.95 27.04 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.856 0.863 . . . . 0.0 113.063 178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -146.38 146.15 30.54 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.151 1.38 . . . . 0.0 111.016 -171.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.418 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 6.8 t -145.0 166.04 26.45 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.165 1.786 . . . . 0.0 111.525 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -126.66 115.02 18.81 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.193 1.397 . . . . 0.0 111.023 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.12 161.76 34.43 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.722 1.609 . . . . 0.0 111.899 -170.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -68.18 -36.17 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.86 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -153.62 169.31 23.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.203 1.801 . . . . 0.0 111.23 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.55 62.11 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.456 1.102 . . . . 0.0 113.21 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.06 -35.11 64.25 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.141 -0.974 . . . . 0.0 111.78 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.3 m -69.17 -43.38 74.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.128 0.971 . . . . 0.0 111.549 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.36 94.99 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.642 -1.286 . . . . 0.0 113.583 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.69 -39.43 91.43 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.052 0.941 . . . . 0.0 110.964 171.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -66.51 -42.43 87.36 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.86 -50.37 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 O-C-N 120.359 -1.463 . . . . 0.0 111.565 171.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.418 ' CZ ' HG22 ' B' ' 18' ' ' THR . 25.4 m-85 -62.76 -34.6 77.57 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.039 -1.038 . . . . 0.0 113.593 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.61 -20.39 60.61 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 172.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -74.82 -37.86 62.19 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.043 -1.036 . . . . 0.0 112.079 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -77.17 -33.0 56.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 172.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -121.6 29.79 7.02 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.395 1.478 . . . . 0.0 114.682 -170.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -51.98 -44.11 63.89 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -158.27 -70.86 0.09 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.639 1.976 . . . . 0.0 108.604 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 26.94 59.96 0.09 Allowed 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 128.849 2.86 . . . . 0.0 117.231 169.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.68 11.6 85.29 Favored Glycine 0 CA--C 1.535 1.32 0 O-C-N 120.245 -1.534 . . . . 0.0 116.124 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -125.58 -60.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.949 1.3 . . . . 0.0 111.346 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 36.93 44.04 0.33 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.36 1.864 . . . . 0.0 114.297 -174.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.52 178.95 47.63 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.047 1.308 . . . . 0.0 115.896 -169.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.98 140.84 37.92 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.443 1.497 . . . . 0.0 111.537 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -108.57 142.36 39.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.409 1.484 . . . . 0.0 112.75 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.7 m -138.87 154.81 48.44 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.912 2.085 . . . . 0.0 109.672 176.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -144.44 145.21 31.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.858 1.263 . . . . 0.0 112.882 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -117.97 116.34 26.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.17 2.188 . . . . 0.0 110.935 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.11 -28.18 61.23 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.124 -0.985 . . . . 0.0 113.585 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.4 59.95 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.346 2.7 t -129.17 10.52 5.83 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.475 2.028 . . . . 0.0 116.475 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 53.97 33.25 17.02 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.463 1.505 . . . . 0.0 112.381 173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 99.9 m -119.98 134.99 55.08 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.963 -170.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -103.76 145.62 29.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.593 2.357 . . . . 0.0 109.567 175.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -128.11 137.1 51.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.872 0.869 . . . . 0.0 110.348 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -127.01 128.16 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.91 1.684 . . . . 0.0 109.603 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.73 139.23 45.03 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.157 0.983 . . . . 0.0 111.378 -174.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 124.227 1.011 . . . . 0.0 112.003 171.09 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.459 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.484 1.264 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.08 133.91 44.36 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.039 0.936 . . . . 0.0 111.705 174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.82 160.02 29.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.461 1.904 . . . . 0.0 111.728 170.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -134.0 155.24 50.32 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.997 1.319 . . . . 0.0 112.941 -174.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.31 130.44 37.02 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.748 2.419 . . . . 0.0 110.641 -178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.3 mt -112.35 125.12 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.45 1.5 . . . . 0.0 109.545 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.8 tp -108.16 119.09 38.5 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.341 1.456 . . . . 0.0 111.469 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -120.02 112.83 19.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.31 1.844 . . . . 0.0 109.774 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.84 176.09 40.69 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 114.798 0.679 . . . . 0.0 114.798 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -93.21 -37.72 11.93 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.345 1.458 . . . . 0.0 111.517 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -75.05 -36.29 61.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.458 1.503 . . . . 0.0 112.668 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 tp -151.94 150.52 30.13 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.308 1.443 . . . . 0.0 111.514 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.96 148.24 48.4 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.432 1.493 . . . . 0.0 109.163 169.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -173.14 44.09 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 116.712 1.445 . . . . 0.0 116.712 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -144.17 131.58 20.92 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.367 1.867 . . . . 0.0 111.348 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -133.61 162.4 32.02 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.232 1.013 . . . . 0.0 113.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.52 144.9 31.56 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.13 1.372 . . . . 0.0 110.928 -171.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.469 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.3 t -146.59 165.67 28.8 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.461 1.504 . . . . 0.0 110.845 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -122.7 126.14 46.96 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.004 1.321 . . . . 0.0 110.53 169.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.26 171.19 14.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.967 1.707 . . . . 0.0 110.971 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.19 -46.68 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.299 172.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 p30 -146.89 166.77 25.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.027 1.331 . . . . 0.0 113.572 -177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.78 -29.57 28.18 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.669 1.587 . . . . 0.0 113.039 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -41.66 49.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.324 1.05 . . . . 0.0 110.854 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -64.91 -47.18 78.68 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.73 -1.231 . . . . 0.0 112.003 169.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.32 -38.07 82.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.812 -1.18 . . . . 0.0 113.646 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.87 -37.39 86.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.55 0.74 . . . . 0.0 110.749 171.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.94 -44.62 80.18 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.233 0.924 . . . . 0.0 112.905 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.1 t -57.84 -52.29 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 119.986 1.266 . . . . 0.0 110.783 173.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.1 m-85 -59.98 -36.32 76.89 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -66.56 -22.29 66.15 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 173.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -40.99 71.66 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.023 -1.673 . . . . 0.0 113.007 173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -79.23 -25.68 42.6 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -130.11 111.26 12.29 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.056 1.343 . . . . 0.0 112.325 -174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -158.76 -63.55 0.08 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.354 1.062 . . . . 0.0 112.015 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -158.78 17.08 0.19 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.09 1.756 . . . . 0.0 114.796 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -56.66 -38.73 72.6 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 121.698 -0.626 . . . . 0.0 111.268 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.37 17.04 0.05 OUTLIER Glycine 0 N--CA 1.471 1.024 0 N-CA-C 117.849 1.9 . . . . 0.0 117.849 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.3 m -137.01 -46.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.3 t0 41.15 43.28 1.88 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.986 1.314 . . . . 0.0 113.448 -170.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.2 172.55 51.27 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -83.93 129.82 34.92 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.382 2.273 . . . . 0.0 111.398 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -92.5 144.93 24.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.037 1.335 . . . . 0.0 113.498 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.99 156.47 47.2 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.027 1.731 . . . . 0.0 109.89 169.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -143.4 137.64 28.82 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.563 1.145 . . . . 0.0 112.759 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -118.14 110.02 17.1 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 127.151 2.18 . . . . 0.0 110.616 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -29.91 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.782 0.833 . . . . 0.0 113.216 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.51 -25.35 10.05 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.423 1.489 . . . . 0.0 113.411 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.9 p -128.81 9.47 5.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.669 1.987 . . . . 0.0 112.442 -173.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 47.7 mmtm 38.16 43.61 0.59 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.526 1.93 . . . . 0.0 114.422 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.6 m -126.85 134.67 50.47 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.947 0.879 . . . . 0.0 112.656 -170.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -103.24 145.77 29.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 128.688 2.795 . . . . 0.0 110.033 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 m -125.54 142.78 51.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.188 0.995 . . . . 0.0 109.973 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -131.67 124.26 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.302 1.841 . . . . 0.0 109.007 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -134.72 139.38 45.15 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.817 1.247 . . . . 0.0 113.291 -173.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 N--CA 1.482 1.158 0 C-N-CA 124.108 0.963 . . . . 0.0 111.466 169.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -78.31 133.43 37.63 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.224 1.01 . . . . 0.0 111.296 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -124.72 156.53 37.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.103 1.761 . . . . 0.0 111.804 172.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -133.62 152.83 51.97 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.428 1.091 . . . . 0.0 112.585 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -132.77 112.29 11.84 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.813 2.045 . . . . 0.0 111.129 -178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 39.7 mt -91.64 123.89 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.315 1.446 . . . . 0.0 108.721 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.4 HD11 HG11 ' B' ' 39' ' ' VAL . 30.8 tp -113.61 119.25 36.81 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.213 1.405 . . . . 0.0 110.116 -174.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 123.29 42.89 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.432 ' H ' ' HG2' ' B' ' 13' ' ' LYS . . . -152.53 177.7 30.12 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.693 1.139 . . . . 0.0 114.584 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -101.35 -0.49 35.43 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.502 1.121 . . . . 0.0 113.341 -170.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.6 m -131.31 -41.98 1.08 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.713 2.005 . . . . 0.0 110.783 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tt -136.32 145.45 45.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.114 1.365 . . . . 0.0 111.703 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' B' ' 9' ' ' GLY . 97.4 mttt -136.45 156.23 48.89 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.611 1.965 . . . . 0.0 110.203 178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.14 -171.91 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 N-CA-C 116.577 1.391 . . . . 0.0 116.577 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.59 131.66 23.16 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.49 1.916 . . . . 0.0 110.873 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -136.66 162.63 32.61 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.825 0.85 . . . . 0.0 112.942 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.92 143.74 30.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.457 1.503 . . . . 0.0 111.107 -173.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.7 t -144.16 166.16 25.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 111.326 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -119.55 127.48 53.04 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.615 1.566 . . . . 0.0 109.297 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 156.77 48.17 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.713 1.605 . . . . 0.0 111.709 -171.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 p -65.65 -37.52 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.356 173.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -156.36 173.22 17.2 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.598 1.559 . . . . 0.0 110.898 173.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.06 -30.29 35.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.679 1.992 . . . . 0.0 113.345 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.36 -26.83 46.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.888 1.275 . . . . 0.0 112.729 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -80.17 -39.21 29.77 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.244 -0.91 . . . . 0.0 111.039 170.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.56 88.68 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.761 -1.212 . . . . 0.0 112.268 169.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.66 -40.39 96.89 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.401 0.68 . . . . 0.0 111.721 169.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.49 -42.3 99.4 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 118.391 0.541 . . . . 0.0 112.34 175.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.42 -53.84 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.321 -0.862 . . . . 0.0 111.675 171.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -63.52 -34.42 77.75 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.19 -25.09 66.78 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.023 -1.048 . . . . 0.0 113.106 170.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -37.46 84.86 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.704 -1.248 . . . . 0.0 112.942 177.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -91.81 -27.68 17.83 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -122.35 21.57 10.28 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 -169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -53.93 -65.5 0.56 Allowed 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -162.8 30.33 0.1 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.602 1.961 . . . . 0.0 113.307 -172.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -66.99 -33.77 76.3 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 173.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.58 23.77 0.02 OUTLIER Glycine 0 N--CA 1.479 1.549 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 173.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.4 HG11 HD11 ' B' ' 7' ' ' LEU . 14.6 p -157.55 40.89 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 125.496 1.518 . . . . 0.0 111.496 -169.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -66.04 44.58 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 128.763 2.825 . . . . 0.0 114.122 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.95 -168.67 45.05 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 126.981 2.229 . . . . 0.0 116.413 -169.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -71.57 115.08 10.33 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.083 1.353 . . . . 0.0 111.186 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -83.54 142.3 30.98 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.046 0.939 . . . . 0.0 111.425 172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -138.93 155.47 48.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.29 2.236 . . . . 0.0 109.52 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -143.05 141.61 31.35 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.262 1.392 . . . . 0.0 113.493 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.05 120.05 36.6 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.194 2.598 . . . . 0.0 111.749 173.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -82.67 -29.95 29.61 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.063 -1.023 . . . . 0.0 112.989 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.67 -18.22 58.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.117 1.367 . . . . 0.0 114.19 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -128.89 -5.7 5.06 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt 54.19 40.41 31.65 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.755 1.222 . . . . 0.0 111.72 -174.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.8 m -116.52 138.39 51.43 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -170.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -112.36 145.58 39.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.7 2.0 . . . . 0.0 108.987 175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.4 m -132.41 133.92 44.5 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.857 0.863 . . . . 0.0 109.888 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -125.32 127.35 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.341 1.456 . . . . 0.0 109.263 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.9 m -134.6 139.54 45.42 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -169.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.481 1.116 0 C-N-CA 127.543 2.337 . . . . 0.0 110.683 169.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -79.28 133.98 36.64 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.032 0.933 . . . . 0.0 112.056 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.01 161.41 26.77 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.87 2.068 . . . . 0.0 111.815 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -135.56 155.31 50.68 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.869 1.268 . . . . 0.0 113.154 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -126.56 127.26 45.01 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.58 2.752 . . . . 0.0 109.598 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.8 mt -106.69 125.07 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.581 1.552 . . . . 0.0 109.246 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -111.69 115.65 29.46 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.78 1.232 . . . . 0.0 110.974 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.14 115.82 24.43 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.599 1.56 . . . . 0.0 111.316 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.0 172.88 29.83 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.527 1.537 . . . . 0.0 113.672 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -86.63 -7.13 58.6 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -135.47 -20.05 1.62 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.996 1.718 . . . . 0.0 112.99 -169.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -151.8 145.58 25.07 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.835 1.654 . . . . 0.0 110.545 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -141.27 152.91 44.9 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.882 1.273 . . . . 0.0 110.935 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.21 -170.76 43.91 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 116.074 1.19 . . . . 0.0 116.074 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -143.36 140.67 30.61 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.935 1.694 . . . . 0.0 112.353 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.7 p -134.94 152.48 51.77 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.215 1.006 . . . . 0.0 112.927 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -142.38 141.39 32.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.539 1.136 . . . . 0.0 110.696 -170.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 t -151.31 161.35 42.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.388 1.075 . . . . 0.0 111.357 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.62 121.9 44.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.761 1.624 . . . . 0.0 109.797 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.07 174.04 11.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.726 1.61 . . . . 0.0 110.498 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.25 -44.74 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.929 -0.482 . . . . 0.0 110.371 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -152.02 171.19 18.22 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.77 -29.96 42.42 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.31 1.444 . . . . 0.0 113.777 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.78 -35.86 37.96 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.936 1.244 . . . . 0.0 111.717 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -66.18 -47.19 74.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.114 -1.616 . . . . 0.0 111.598 169.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.56 83.82 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.086 -1.009 . . . . 0.0 113.395 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -63.42 -40.67 97.82 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.813 0.845 . . . . 0.0 110.984 169.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.4 -46.52 82.94 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.885 0.766 . . . . 0.0 111.972 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.1 t -55.77 -51.67 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 CA-C-N 119.712 1.142 . . . . 0.0 110.923 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -59.9 -40.59 89.29 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -65.79 -29.17 69.62 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 118.831 -0.604 . . . . 0.0 112.489 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.81 -44.0 91.3 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.333 1.879 . . . . 0.0 112.072 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -79.28 -25.78 42.43 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -129.22 29.16 5.18 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 118.126 2.639 . . . . 0.0 118.126 -169.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -99.29 115.56 29.44 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 120.655 -1.278 . . . . 0.0 110.587 169.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.2 t70 57.09 24.79 10.07 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 117.257 2.318 . . . . 0.0 117.257 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -58.44 -42.05 86.45 Favored 'General case' 0 CA--C 1.556 1.194 0 CA-C-O 123.221 1.486 . . . . 0.0 109.645 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.42 30.01 0.03 OUTLIER Glycine 0 N--CA 1.474 1.217 0 C-N-CA 126.74 2.114 . . . . 0.0 114.824 -172.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.02 40.62 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 126.193 1.797 . . . . 0.0 110.492 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -64.98 44.08 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.378 2.671 . . . . 0.0 113.989 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.3 -170.73 44.12 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 127.116 2.293 . . . . 0.0 113.946 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.39 115.48 19.95 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.7 1.2 . . . . 0.0 111.895 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -80.02 136.14 36.52 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.453 0.644 . . . . 0.0 110.753 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -138.97 155.15 48.24 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.928 2.091 . . . . 0.0 109.815 -178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -141.94 141.58 32.96 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.941 1.246 . . . . 0.0 113.306 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -118.07 114.6 23.35 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.344 2.258 . . . . 0.0 112.132 175.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -82.52 -11.16 58.66 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.92 -24.67 52.44 Favored 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 172.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -128.91 11.17 6.04 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.156 1.782 . . . . 0.0 115.169 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt 53.52 47.36 24.18 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.701 1.601 . . . . 0.0 113.19 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.0 m -133.46 138.8 46.34 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.838 0.855 . . . . 0.0 111.584 -171.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -102.86 145.75 29.32 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.957 2.503 . . . . 0.0 109.043 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -127.81 147.15 50.42 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.021 0.929 . . . . 0.0 110.026 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.3 t -132.92 121.88 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.805 1.642 . . . . 0.0 109.121 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.2 m -135.01 111.76 10.05 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 117.913 -1.041 . . . . 0.0 111.734 169.629 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.6 ttp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -74.16 132.42 42.2 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.386 0.675 . . . . 0.0 111.367 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -124.7 159.14 31.52 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.902 1.681 . . . . 0.0 111.495 170.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -135.02 154.29 51.77 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.663 1.185 . . . . 0.0 112.646 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -131.23 130.07 42.44 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.606 2.362 . . . . 0.0 109.818 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.0 mt -113.29 130.64 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.558 1.543 . . . . 0.0 108.81 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.7 tp -112.07 119.71 39.36 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.313 1.845 . . . . 0.0 109.754 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.3 132.36 56.62 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 172.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.09 -174.34 46.69 Favored Glycine 0 N--CA 1.469 0.888 0 N-CA-C 115.072 0.789 . . . . 0.0 115.072 -175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -112.53 -34.29 5.89 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.626 1.57 . . . . 0.0 112.165 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -76.31 -35.03 59.02 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.226 1.01 . . . . 0.0 112.674 169.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -151.8 152.05 32.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.828 1.651 . . . . 0.0 112.606 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -131.69 155.45 47.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.247 1.819 . . . . 0.0 108.728 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.76 -175.49 43.88 Favored Glycine 0 N--CA 1.476 1.312 0 N-CA-C 117.26 1.664 . . . . 0.0 117.26 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -149.23 132.57 16.53 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.098 2.159 . . . . 0.0 111.19 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -137.74 166.34 24.22 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.493 1.117 . . . . 0.0 113.318 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 146.02 30.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.325 1.45 . . . . 0.0 111.318 -170.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.407 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -146.26 166.05 27.39 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.639 1.575 . . . . 0.0 111.125 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -124.81 114.08 18.76 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.496 1.518 . . . . 0.0 109.652 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.13 163.12 31.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.638 1.575 . . . . 0.0 112.575 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.83 -39.1 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.465 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -153.28 168.28 26.54 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.058 1.343 . . . . 0.0 111.307 -178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -35.32 38.19 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.553 1.941 . . . . 0.0 112.424 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.07 68.56 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.871 -1.143 . . . . 0.0 112.489 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -72.69 -45.21 59.97 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.883 -1.136 . . . . 0.0 111.706 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.24 92.93 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.61 -1.306 . . . . 0.0 113.472 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.89 -42.54 98.18 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.405 0.682 . . . . 0.0 110.898 170.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.04 -49.68 73.63 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.76 -51.57 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.817 1.189 . . . . 0.0 111.367 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.3 m-85 -60.85 -35.42 76.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.13 -24.0 60.55 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -39.04 82.54 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.092 -1.63 . . . . 0.0 112.201 170.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -77.98 -33.49 51.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -118.39 24.32 11.01 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -90.53 116.33 28.35 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.991 -1.693 . . . . 0.0 111.16 169.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 21.8 t70 54.2 26.42 6.68 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 169.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -57.59 -40.99 80.28 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-O 122.568 1.175 . . . . 0.0 109.562 169.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.71 -23.66 0.09 OUTLIER Glycine 0 CA--C 1.532 1.153 0 N-CA-C 117.6 1.8 . . . . 0.0 117.6 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 t -61.48 -48.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 118.845 1.323 . . . . 0.0 111.847 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 39.22 40.26 0.5 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.317 1.847 . . . . 0.0 113.536 -170.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.71 -179.97 35.98 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.269 1.414 . . . . 0.0 114.92 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.57 140.69 41.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.841 1.256 . . . . 0.0 111.938 176.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -107.29 140.06 40.79 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.447 1.499 . . . . 0.0 112.176 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.98 155.35 48.07 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.412 1.885 . . . . 0.0 109.997 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -142.12 137.41 30.92 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.835 1.254 . . . . 0.0 111.951 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -118.08 112.49 20.28 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.653 1.981 . . . . 0.0 110.084 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.76 -32.88 62.2 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -176.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -10.02 11.7 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 12.9 t -129.2 12.51 6.07 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.034 1.734 . . . . 0.0 114.299 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 40.66 40.62 0.96 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.965 1.706 . . . . 0.0 114.947 -174.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -127.47 137.13 52.6 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -104.91 145.72 30.01 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.222 2.609 . . . . 0.0 109.401 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 36.0 m -129.88 137.97 50.7 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.945 0.898 . . . . 0.0 110.274 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.61 130.44 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.266 1.826 . . . . 0.0 109.271 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.2 m -134.74 117.12 15.65 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.639 0.776 . . . . 0.0 111.759 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 C--O 1.25 1.13 0 C-N-CA 126.141 1.776 . . . . 0.0 112.886 176.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.384 0.135 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -84.28 131.86 34.68 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 111.788 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.82 158.81 32.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.794 2.037 . . . . 0.0 112.122 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.16 153.65 49.18 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.885 1.274 . . . . 0.0 112.795 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.19 130.39 42.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.204 2.202 . . . . 0.0 110.677 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -111.58 127.02 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.533 1.533 . . . . 0.0 109.465 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -113.57 119.4 37.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.112 1.365 . . . . 0.0 111.688 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -119.81 125.9 49.68 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.733 1.613 . . . . 0.0 110.469 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.18 174.54 43.02 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.134 1.35 . . . . 0.0 114.153 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -95.23 -32.21 13.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.469 1.108 . . . . 0.0 112.922 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 p -77.86 -48.06 17.32 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.095 0.958 . . . . 0.0 111.881 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -145.86 146.58 31.18 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.165 1.386 . . . . 0.0 112.095 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -132.04 158.97 40.16 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.726 2.01 . . . . 0.0 110.556 177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.08 -174.34 46.71 Favored Glycine 0 N--CA 1.477 1.401 0 N-CA-C 116.948 1.539 . . . . 0.0 116.948 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -148.07 133.17 18.28 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 126.597 1.959 . . . . 0.0 112.202 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -135.37 161.01 36.63 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.55 141.84 27.4 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.277 1.431 . . . . 0.0 111.842 -174.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 t -145.62 162.42 37.53 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.889 1.675 . . . . 0.0 111.426 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.79 122.56 43.73 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.761 1.624 . . . . 0.0 109.72 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.99 166.25 23.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.623 1.569 . . . . 0.0 111.791 -169.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 p -69.21 -33.38 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.048 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -159.83 169.73 22.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.626 1.57 . . . . 0.0 108.709 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.0 44.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.793 1.637 . . . . 0.0 112.669 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.8 -36.94 62.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.157 1.383 . . . . 0.0 112.304 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -71.48 -41.61 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.641 -1.287 . . . . 0.0 111.585 170.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.93 90.64 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.575 1.08 . . . . 0.0 112.834 172.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.38 -40.4 94.19 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.953 0.901 . . . . 0.0 111.28 170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -64.66 -45.21 87.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 113.157 175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.76 -50.92 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.562 -1.336 . . . . 0.0 111.139 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -58.8 -41.98 88.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.44 -29.77 69.98 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.444 -0.785 . . . . 0.0 112.761 175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.51 -32.01 73.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.195 -1.565 . . . . 0.0 113.356 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -87.09 -23.33 24.94 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 171.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -124.13 15.16 9.13 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -169.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -90.39 132.13 35.78 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.715 -1.24 . . . . 0.0 110.494 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.51 12.37 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 169.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -57.92 -37.12 73.48 Favored 'General case' 0 CA--C 1.558 1.279 0 O-C-N 120.784 -1.198 . . . . 0.0 112.551 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.46 -29.67 0.19 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.911 1.72 . . . . 0.0 116.929 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.91 -42.15 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.055 1.427 . . . . 0.0 112.826 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 39.12 38.05 0.28 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.738 2.015 . . . . 0.0 114.288 -176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.79 174.34 49.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.976 1.274 . . . . 0.0 115.85 -169.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.84 131.94 35.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.194 1.798 . . . . 0.0 111.483 172.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -95.69 144.99 25.63 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.778 1.631 . . . . 0.0 112.796 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.7 m -138.96 153.28 48.17 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.912 1.685 . . . . 0.0 109.943 174.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -144.35 138.5 27.87 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.909 1.284 . . . . 0.0 112.169 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -118.0 106.77 13.27 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.878 2.071 . . . . 0.0 110.238 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -69.23 -27.92 65.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.93 0.892 . . . . 0.0 113.289 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -25.27 59.04 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.548 1.539 . . . . 0.0 113.8 173.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.4 p -128.73 8.23 5.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.794 1.638 . . . . 0.0 113.018 -169.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mptt 44.9 35.14 1.4 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 127.015 2.126 . . . . 0.0 113.051 -175.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.4 m -125.5 135.55 52.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 122.213 1.006 . . . . 0.0 113.001 -169.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -108.74 145.96 34.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 129.36 3.064 . . . . 0.0 109.944 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -131.22 147.39 52.59 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.786 -1.196 . . . . 0.0 111.255 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.28 129.0 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.886 2.074 . . . . 0.0 108.896 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -134.44 129.84 35.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.316 1.046 . . . . 0.0 111.608 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.384 1.874 . . . . 0.0 112.415 -176.474 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.409 0.152 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -75.52 133.16 41.09 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.971 0.908 . . . . 0.0 112.291 175.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.63 156.47 37.45 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.867 1.667 . . . . 0.0 111.482 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -135.55 154.96 51.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.695 1.198 . . . . 0.0 112.795 -172.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -134.36 129.53 35.56 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.979 2.112 . . . . 0.0 110.916 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -112.92 127.51 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.485 1.514 . . . . 0.0 109.675 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 49.9 tp -106.69 119.66 39.89 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.553 1.941 . . . . 0.0 110.781 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -119.85 117.21 27.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.092 0.957 . . . . 0.0 109.753 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.3 172.15 42.2 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -88.71 -31.59 18.39 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.903 1.281 . . . . 0.0 112.628 -175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -75.14 -49.06 20.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.592 0.757 . . . . 0.0 111.65 171.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 tp -142.7 147.89 36.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.514 1.126 . . . . 0.0 113.013 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -128.46 151.52 49.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.955 1.302 . . . . 0.0 110.104 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.34 -173.37 43.7 Favored Glycine 0 N--CA 1.474 1.232 0 N-CA-C 116.539 1.376 . . . . 0.0 116.539 -178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -147.35 136.81 22.69 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.585 1.954 . . . . 0.0 112.045 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.7 p -136.55 163.22 31.03 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.172 0.989 . . . . 0.0 113.554 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -145.1 143.75 30.57 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.195 1.398 . . . . 0.0 111.068 -173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -143.26 166.15 25.5 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.018 1.727 . . . . 0.0 111.771 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -127.9 110.07 12.2 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.437 1.495 . . . . 0.0 110.469 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.18 157.51 42.24 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.552 1.541 . . . . 0.0 111.82 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.24 -33.79 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.781 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -156.24 169.8 23.72 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.565 1.946 . . . . 0.0 110.793 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.69 62.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.577 1.151 . . . . 0.0 113.246 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.76 61.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.506 1.122 . . . . 0.0 112.069 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -72.37 -40.83 67.0 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.211 1.004 . . . . 0.0 111.549 170.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.32 94.21 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.529 -1.357 . . . . 0.0 112.865 170.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.55 -40.11 95.78 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.549 0.74 . . . . 0.0 112.146 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -60.5 -44.54 95.88 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.727 0.694 . . . . 0.0 111.952 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.54 -51.33 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 O-C-N 121.452 -0.78 . . . . 0.0 111.891 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -62.91 -35.79 81.24 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.691 -1.256 . . . . 0.0 113.8 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.78 -20.6 66.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.709 -1.244 . . . . 0.0 113.422 171.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.59 -41.46 38.66 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.468 1.031 . . . . 0.0 112.637 173.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -79.44 -26.72 41.73 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -122.4 26.05 8.58 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.333 1.453 . . . . 0.0 114.409 -171.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -50.57 -38.7 46.67 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.56 -60.12 0.05 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.489 1.515 . . . . 0.0 111.883 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 m120 50.51 29.86 4.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.326 2.251 . . . . 0.0 115.05 170.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.18 32.71 9.82 Favored Glycine 0 CA--C 1.542 1.743 0 C-N-CA 126.991 2.234 . . . . 0.0 114.287 -170.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -126.75 -42.48 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.486 1.914 . . . . 0.0 111.485 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 35.81 46.75 0.35 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.338 2.255 . . . . 0.0 115.069 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.5 165.83 51.67 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 123.98 0.8 . . . . 0.0 114.983 -171.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.41 118.71 11.83 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.616 1.566 . . . . 0.0 110.889 172.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -80.9 143.16 32.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.617 0.767 . . . . 0.0 111.783 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.1 m -139.02 156.72 46.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 127.276 2.23 . . . . 0.0 109.338 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -144.82 142.16 29.73 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 119.925 1.239 . . . . 0.0 113.3 177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -118.16 117.27 28.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.195 2.198 . . . . 0.0 111.106 171.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.54 -25.79 38.42 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.89 -15.19 62.1 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.334 4.0 t -129.18 10.3 5.8 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 169.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt 52.26 35.15 16.2 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.458 -1.401 . . . . 0.0 113.416 175.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.35 133.99 55.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.413 0.625 . . . . 0.0 111.729 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -103.39 145.7 29.59 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.364 2.266 . . . . 0.0 109.353 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 52.2 m -130.49 142.83 50.48 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.927 0.891 . . . . 0.0 110.359 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.42 129.23 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 126.191 1.796 . . . . 0.0 109.165 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -134.56 126.75 29.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.851 0.86 . . . . 0.0 111.508 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--O 1.25 1.099 0 C-N-CA 125.917 1.687 . . . . 0.0 112.378 178.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.13 136.48 44.84 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.94 0.896 . . . . 0.0 111.695 173.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.96 159.23 31.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.471 1.908 . . . . 0.0 111.248 169.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -133.88 155.17 50.35 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.721 1.208 . . . . 0.0 113.051 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.47 124.46 27.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 127.888 2.475 . . . . 0.0 110.463 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -101.53 125.67 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.242 1.417 . . . . 0.0 109.448 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 tp -110.28 114.44 27.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.652 1.181 . . . . 0.0 111.74 -173.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.29 130.98 54.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.471 1.508 . . . . 0.0 108.836 169.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.24 171.04 44.0 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 115.76 1.064 . . . . 0.0 115.76 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -77.25 -21.01 54.37 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -123.14 -19.08 6.13 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.381 1.472 . . . . 0.0 114.433 -175.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -151.49 145.95 25.55 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.02 1.328 . . . . 0.0 111.429 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -137.99 156.06 48.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 109.977 172.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.31 -163.84 35.22 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -143.94 141.94 30.49 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.384 1.474 . . . . 0.0 112.656 171.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -138.11 160.54 39.13 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.369 1.067 . . . . 0.0 113.601 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -143.83 140.94 30.1 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.245 1.418 . . . . 0.0 110.863 -171.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.4 t -145.03 166.16 26.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.877 1.671 . . . . 0.0 110.509 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -117.16 127.42 54.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.576 1.55 . . . . 0.0 110.788 170.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 167.49 21.21 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.627 1.571 . . . . 0.0 111.558 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.28 -42.72 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.82 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.1 p30 -149.98 168.16 24.62 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.298 1.439 . . . . 0.0 112.973 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.01 53.54 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.803 1.241 . . . . 0.0 113.213 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.58 61.49 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.099 -1.001 . . . . 0.0 111.326 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -66.52 -47.57 72.52 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 120.686 -1.258 . . . . 0.0 112.143 170.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.53 83.53 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.639 -1.288 . . . . 0.0 113.595 175.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.493 0.717 . . . . 0.0 110.714 170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -63.78 -48.8 75.45 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.643 0.656 . . . . 0.0 112.212 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.42 -50.41 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 CA-C-N 119.602 1.092 . . . . 0.0 111.387 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CZ ' HG22 ' A' ' 18' ' ' THR . 23.3 m-85 -60.97 -37.48 82.56 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -67.67 -23.5 65.33 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 174.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -37.46 78.51 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 120.157 -1.59 . . . . 0.0 113.415 173.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -86.6 -23.83 25.6 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 174.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -127.67 111.17 13.42 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.037 1.335 . . . . 0.0 111.75 -172.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.3 p30 -171.66 -155.76 0.1 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.766 2.027 . . . . 0.0 109.842 -169.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -53.09 -6.31 0.06 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.913 2.485 . . . . 0.0 117.184 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -61.0 -35.72 77.59 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.285 0.634 . . . . 0.0 112.628 171.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.04 0.17 0.03 OUTLIER Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.76 65.37 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.542 1.537 . . . . 0.0 113.049 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -75.82 48.43 0.47 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 126.304 1.841 . . . . 0.0 108.84 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.43 -166.87 21.1 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 126.971 2.224 . . . . 0.0 117.475 -169.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.41 146.82 51.74 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.416 1.486 . . . . 0.0 111.661 175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -121.21 133.26 55.16 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.547 1.155 . . . . 0.0 114.087 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 t -139.26 166.71 23.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.773 0.829 . . . . 0.0 111.467 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -149.81 139.42 21.63 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.985 1.314 . . . . 0.0 112.776 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -118.03 101.47 8.28 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 127.007 2.123 . . . . 0.0 110.271 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.23 -33.19 74.96 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.02 -20.04 8.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.277 1.431 . . . . 0.0 114.546 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -128.82 8.76 5.78 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.088 1.755 . . . . 0.0 113.509 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 44.87 46.71 9.03 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.162 1.385 . . . . 0.0 114.173 -172.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -125.6 136.25 53.06 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.594 0.711 . . . . 0.0 112.656 -174.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -104.19 145.8 29.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 128.597 2.759 . . . . 0.0 109.62 174.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.5 m -125.72 147.05 49.49 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.741 -0.599 . . . . 0.0 110.502 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.2 t -130.42 127.26 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.892 1.677 . . . . 0.0 109.744 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -134.96 139.89 45.27 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -170.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 . . . . . 0 N--CA 1.483 1.198 0 C-N-CA 127.634 2.374 . . . . 0.0 109.846 169.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.12 131.61 35.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.637 0.775 . . . . 0.0 112.269 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -124.66 159.91 29.72 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.732 2.013 . . . . 0.0 111.656 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -135.49 155.16 50.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 124.527 1.131 . . . . 0.0 113.054 -173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.04 114.93 13.72 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.565 2.346 . . . . 0.0 110.607 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -95.55 125.99 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.902 1.281 . . . . 0.0 109.025 172.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -110.45 119.55 39.55 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.047 1.739 . . . . 0.0 110.263 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.88 129.69 54.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.613 1.165 . . . . 0.0 109.379 175.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.47 -171.47 43.77 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.12 0.866 . . . . 0.0 114.565 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -111.98 -34.93 5.83 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.823 1.249 . . . . 0.0 113.676 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 36.4 p -74.44 -34.59 63.24 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 121.25 -0.906 . . . . 0.0 112.781 170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.5 tp -151.66 147.06 26.28 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.303 1.441 . . . . 0.0 112.713 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -133.17 150.3 52.01 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.117 1.367 . . . . 0.0 109.838 169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.65 -172.61 44.26 Favored Glycine 0 N--CA 1.472 1.044 0 N-CA-C 116.375 1.31 . . . . 0.0 116.375 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -145.47 131.86 19.65 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.947 2.099 . . . . 0.0 110.286 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.3 p -137.15 160.98 37.4 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.939 0.896 . . . . 0.0 112.352 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.49 143.97 29.32 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.03 1.332 . . . . 0.0 111.3 -169.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -143.38 166.14 25.59 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.411 1.884 . . . . 0.0 111.91 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.74 111.23 13.45 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.254 1.422 . . . . 0.0 110.59 175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.84 166.57 18.81 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.994 1.718 . . . . 0.0 112.204 -169.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.15 -36.82 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.005 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -151.27 163.58 38.57 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.766 2.027 . . . . 0.0 108.795 175.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.62 -25.45 7.03 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.192 1.397 . . . . 0.0 113.786 174.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.24 -40.48 71.01 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.658 1.583 . . . . 0.0 111.922 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 89.4 m -72.43 -40.7 66.91 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.183 -0.948 . . . . 0.0 111.322 171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.3 89.95 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.643 -1.286 . . . . 0.0 113.979 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -71.92 -32.73 67.66 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 171.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.84 -47.09 87.94 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 118.933 0.788 . . . . 0.0 111.606 170.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.81 -52.54 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 121.239 -0.913 . . . . 0.0 111.754 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.95 -39.05 73.82 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.555 -0.715 . . . . 0.0 112.743 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.21 -20.39 63.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.57 -38.01 89.55 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.199 1.363 . . . . 0.0 112.581 170.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -84.95 -26.21 27.32 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.791 1.236 . . . . 0.0 113.91 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.66 28.06 8.54 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -170.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -63.31 73.02 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 127.379 2.272 . . . . 0.0 113.544 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 66.6 -59.68 0.35 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 128.818 2.847 . . . . 0.0 111.768 -169.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 38.88 37.6 0.22 Allowed 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 169.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.05 10.66 71.36 Favored Glycine 0 N--CA 1.474 1.226 0 O-C-N 119.366 -2.084 . . . . 0.0 115.783 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.4 p -141.91 -41.81 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 118.584 1.192 . . . . 0.0 113.659 -176.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 39.81 34.23 0.16 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.408 2.283 . . . . 0.0 116.333 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.49 165.0 47.73 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.464 1.031 . . . . 0.0 115.442 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.26 127.06 31.55 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.457 1.503 . . . . 0.0 110.422 169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -90.47 140.79 29.39 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.752 0.821 . . . . 0.0 111.133 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -138.75 153.81 48.49 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 127.055 2.142 . . . . 0.0 109.114 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -143.16 139.14 30.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.174 1.352 . . . . 0.0 112.344 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -118.05 113.13 21.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.654 1.982 . . . . 0.0 109.794 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -69.98 -38.16 75.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.333 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.89 -11.24 7.28 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.004 1.722 . . . . 0.0 115.244 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.5 t -129.37 12.41 5.98 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.621 1.568 . . . . 0.0 114.395 169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 39.44 40.52 0.59 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.366 1.867 . . . . 0.0 115.046 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.6 m -125.91 136.09 52.64 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 121.69 -0.631 . . . . 0.0 112.161 -170.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.07 145.64 28.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.972 2.109 . . . . 0.0 109.426 173.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 60.0 m -127.38 137.79 52.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 110.026 174.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -126.43 127.14 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.228 1.411 . . . . 0.0 109.197 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -134.89 137.12 42.91 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.198 0.999 . . . . 0.0 112.001 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 117.986 -1.007 . . . . 0.0 112.439 170.1 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.399 0.142 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -72.95 132.93 44.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.874 0.87 . . . . 0.0 111.048 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -124.71 156.15 38.1 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.893 1.677 . . . . 0.0 111.443 170.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -135.59 155.31 50.66 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.468 1.107 . . . . 0.0 113.212 -172.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.63 134.08 40.82 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.182 2.193 . . . . 0.0 111.149 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -116.18 120.14 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.629 1.572 . . . . 0.0 109.939 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -99.21 119.46 37.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.08 1.752 . . . . 0.0 111.189 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.87 140.64 49.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.98 1.312 . . . . 0.0 110.187 170.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.67 178.61 45.62 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.035 0.826 . . . . 0.0 114.229 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -96.11 -37.03 10.77 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.291 1.436 . . . . 0.0 111.683 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.9 m -83.52 -29.8 27.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.342 1.457 . . . . 0.0 113.005 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.7 tp -151.86 149.21 28.72 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.455 1.102 . . . . 0.0 112.475 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -135.89 155.61 50.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.331 1.453 . . . . 0.0 109.107 169.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.74 -172.83 43.85 Favored Glycine 0 N--CA 1.476 1.35 0 N-CA-C 116.985 1.554 . . . . 0.0 116.985 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -146.15 136.64 24.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.154 1.782 . . . . 0.0 112.455 177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 p -134.65 160.06 39.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.143 0.977 . . . . 0.0 113.405 176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.4 28.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.936 1.294 . . . . 0.0 110.857 -173.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.73 166.08 25.86 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.032 1.733 . . . . 0.0 111.361 -176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -123.06 117.99 26.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.993 1.717 . . . . 0.0 109.211 171.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.14 166.4 23.48 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 125.065 1.346 . . . . 0.0 111.249 -170.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -75.16 -25.59 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 CA-C-N 115.357 -0.838 . . . . 0.0 112.402 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -163.32 165.09 24.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.599 1.56 . . . . 0.0 108.385 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.19 -29.65 61.19 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.565 1.546 . . . . 0.0 112.506 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.7 52.31 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.244 1.417 . . . . 0.0 111.845 177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 m -65.54 -46.05 81.04 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.596 -1.315 . . . . 0.0 112.197 172.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.43 91.47 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.175 -0.953 . . . . 0.0 113.052 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.12 -41.38 96.59 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.088 0.555 . . . . 0.0 111.408 171.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.36 -47.24 80.07 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.338 0.972 . . . . 0.0 112.665 176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.8 t -55.81 -51.95 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 CA-C-N 119.313 0.96 . . . . 0.0 110.552 173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -59.32 -39.63 83.69 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -64.57 -22.83 67.08 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -68.25 -42.54 79.51 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.112 -1.618 . . . . 0.0 112.748 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -84.0 -19.83 33.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.682 1.193 . . . . 0.0 114.138 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -130.5 108.39 9.92 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.118 1.367 . . . . 0.0 112.394 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -171.17 -157.11 0.12 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 127.287 2.235 . . . . 0.0 109.925 -170.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.06 -3.6 0.85 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -55.82 -34.18 65.12 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.481 0.712 . . . . 0.0 112.09 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.59 -15.98 0.02 OUTLIER Glycine 0 CA--C 1.528 0.904 0 N-CA-C 117.781 1.873 . . . . 0.0 117.781 -175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.17 -50.48 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 119.281 1.541 . . . . 0.0 115.028 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 35.56 42.72 0.13 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 126.884 2.074 . . . . 0.0 114.33 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.19 172.57 54.73 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 116.33 1.292 . . . . 0.0 116.33 -169.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.55 116.06 13.69 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.741 1.616 . . . . 0.0 110.329 170.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -80.44 142.35 34.39 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.013 0.925 . . . . 0.0 112.194 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.0 m -138.95 153.07 48.17 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.025 2.13 . . . . 0.0 109.202 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -144.03 134.6 24.82 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.356 1.063 . . . . 0.0 112.391 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -118.16 102.24 8.85 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.693 1.997 . . . . 0.0 110.75 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.78 -31.18 71.65 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 -19.85 15.05 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.733 1.213 . . . . 0.0 114.018 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.6 t -128.79 12.73 6.31 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.829 2.052 . . . . 0.0 112.87 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 41.45 43.38 2.17 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.346 1.858 . . . . 0.0 114.765 -177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.9 m -129.75 137.46 50.56 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.816 0.817 . . . . 0.0 112.271 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.46 145.61 28.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.192 2.597 . . . . 0.0 110.074 175.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -129.17 141.0 51.29 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.035 0.934 . . . . 0.0 109.913 176.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.0 t -132.61 129.45 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.392 1.477 . . . . 0.0 109.402 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.9 m -134.68 138.83 44.77 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.539 1.135 . . . . 0.0 111.881 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 124.421 1.088 . . . . 0.0 112.119 173.296 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -75.48 132.63 40.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.427 0.691 . . . . 0.0 111.184 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.62 155.9 38.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.892 1.677 . . . . 0.0 111.303 171.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -135.44 155.21 50.91 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.485 1.114 . . . . 0.0 112.607 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.01 136.88 50.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.879 2.471 . . . . 0.0 110.04 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mt -117.8 118.4 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.772 1.629 . . . . 0.0 109.262 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 40.8 tp -97.5 119.59 36.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.57 1.948 . . . . 0.0 110.435 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -120.01 137.25 54.2 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.841 0.856 . . . . 0.0 108.718 169.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.08 171.84 40.26 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 114.909 0.724 . . . . 0.0 114.909 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -78.93 -29.06 43.9 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.29 1.436 . . . . 0.0 114.061 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -104.06 -24.23 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.329 1.452 . . . . 0.0 113.975 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.57 146.15 25.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.168 1.387 . . . . 0.0 113.025 175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.95 150.95 50.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.44 1.096 . . . . 0.0 110.361 169.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.04 -171.46 43.44 Favored Glycine 0 N--CA 1.474 1.193 0 N-CA-C 116.275 1.27 . . . . 0.0 116.275 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -147.56 142.86 27.31 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.032 1.733 . . . . 0.0 112.696 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 26.3 p -136.83 157.5 46.6 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.265 1.026 . . . . 0.0 113.219 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.6 m -142.8 141.68 31.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.922 1.289 . . . . 0.0 111.317 -173.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -145.24 166.19 26.2 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.835 2.054 . . . . 0.0 111.528 -175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -128.38 118.34 23.0 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.954 1.302 . . . . 0.0 111.126 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.66 166.87 21.6 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.653 1.581 . . . . 0.0 111.754 -170.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.61 -34.8 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.072 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.83 167.51 29.43 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 126.187 1.795 . . . . 0.0 110.484 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -35.17 51.33 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.91 1.684 . . . . 0.0 112.713 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.57 63.64 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.706 1.202 . . . . 0.0 112.906 177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -75.15 -41.21 58.75 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.437 -0.79 . . . . 0.0 111.142 172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.42 98.89 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.865 -1.147 . . . . 0.0 112.868 169.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.23 -43.22 87.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.548 1.139 . . . . 0.0 111.047 171.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.34 -46.77 85.06 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.34 -47.95 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.464 1.029 . . . . 0.0 111.816 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -61.93 -41.75 98.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.052 -1.03 . . . . 0.0 112.883 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.67 -25.87 64.11 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 175.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -64.95 -43.42 92.77 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.361 -0.837 . . . . 0.0 112.674 170.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -75.36 -50.09 17.01 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.267 0.94 . . . . 0.0 112.676 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -85.13 30.05 0.62 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.721 1.608 . . . . 0.0 113.789 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.27 79.21 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 128.373 2.669 . . . . 0.0 114.011 173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 t70 68.88 -66.84 0.23 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.732 2.813 . . . . 0.0 114.379 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 45.37 28.49 0.47 Allowed 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 127.49 2.316 . . . . 0.0 115.838 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.55 29.97 18.88 Favored Glycine 0 CA--C 1.545 1.926 0 C-N-CA 128.086 2.755 . . . . 0.0 114.656 -171.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.99 -38.32 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 126.531 1.932 . . . . 0.0 110.638 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 32.63 44.6 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.734 2.814 . . . . 0.0 116.291 169.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.15 167.12 43.55 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.62 119.69 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.281 1.432 . . . . 0.0 110.013 169.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -81.28 137.93 35.77 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.365 0.666 . . . . 0.0 110.907 175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 54.6 m -138.88 155.41 48.12 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.761 2.024 . . . . 0.0 108.752 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -143.14 138.72 29.99 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.523 1.129 . . . . 0.0 112.536 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.22 109.45 16.37 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.425 1.89 . . . . 0.0 110.334 170.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.77 -37.13 85.49 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.817 1.247 . . . . 0.0 113.032 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -11.24 18.75 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.23 12.44 6.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.987 1.715 . . . . 0.0 114.291 170.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.61 40.88 0.68 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.044 1.738 . . . . 0.0 115.035 -173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 93.4 m -126.88 138.19 53.27 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.524 0.678 . . . . 0.0 112.556 -170.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -104.53 145.82 29.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.259 2.624 . . . . 0.0 110.045 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 42.1 m -129.73 142.83 50.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.179 0.991 . . . . 0.0 110.321 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.1 t -130.06 120.84 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.159 1.784 . . . . 0.0 108.982 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.2 m -135.06 139.85 45.09 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.474 1.11 . . . . 0.0 111.487 -172.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 N--CA 1.484 1.268 0 CA-C-N 119.406 1.003 . . . . 0.0 111.008 169.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.503 ' SD ' ' HE2' ' A' ' 50' ' ' LYS . 22.9 ptp . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 111.517 0.192 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -73.15 135.16 44.65 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.118 0.967 . . . . 0.0 111.927 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -124.91 159.17 31.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.288 1.835 . . . . 0.0 111.615 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -135.45 154.33 51.47 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.691 1.196 . . . . 0.0 113.186 -175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -133.25 126.83 32.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.713 2.405 . . . . 0.0 110.758 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.57 129.99 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.602 1.561 . . . . 0.0 109.535 174.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.7 tp -111.69 119.68 39.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.213 1.405 . . . . 0.0 111.567 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.68 139.27 51.24 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 114.234 -1.348 . . . . 0.0 111.45 170.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.05 -177.04 41.34 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.528 1.537 . . . . 0.0 114.337 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -107.81 -1.17 21.11 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.221 1.408 . . . . 0.0 113.447 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.4 m -138.24 -20.62 1.08 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.095 1.758 . . . . 0.0 112.75 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -151.68 144.11 24.14 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.496 1.518 . . . . 0.0 110.843 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -140.38 155.9 46.59 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.696 1.598 . . . . 0.0 110.801 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.69 -172.18 45.21 Favored Glycine 0 N--CA 1.473 1.147 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -146.69 140.92 26.3 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.339 1.856 . . . . 0.0 111.804 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 p -138.89 159.32 42.41 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 174.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -139.67 143.11 36.97 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.334 1.454 . . . . 0.0 110.828 -176.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.455 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 6.6 t -144.86 165.85 26.94 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.639 1.575 . . . . 0.0 110.883 -177.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -122.6 120.95 35.27 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.724 1.61 . . . . 0.0 110.268 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.3 165.63 25.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.376 1.471 . . . . 0.0 111.112 -173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 p -66.43 -44.07 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 173.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.8 p30 -149.91 166.93 28.1 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.331 1.452 . . . . 0.0 113.762 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.77 19.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.833 1.653 . . . . 0.0 113.777 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -41.86 41.01 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.059 1.344 . . . . 0.0 110.548 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -68.35 -47.96 66.1 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.65 -1.281 . . . . 0.0 112.122 169.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.47 76.15 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.708 -1.245 . . . . 0.0 113.938 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -75.49 -28.8 59.33 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 118.287 -0.863 . . . . 0.0 112.596 170.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -65.28 -41.33 94.29 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.883 1.219 . . . . 0.0 111.573 170.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.2 -52.22 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.843 -1.16 . . . . 0.0 110.929 171.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' A' ' 18' ' ' THR . 24.9 m-85 -62.4 -32.15 72.93 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -62.12 -27.71 69.13 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.808 0.731 . . . . 0.0 112.595 170.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -41.17 66.04 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 120.18 -1.575 . . . . 0.0 112.532 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -81.27 -26.21 35.96 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -131.36 117.08 18.41 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.93 1.292 . . . . 0.0 112.497 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.43 -151.86 0.05 Allowed 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 126.412 1.885 . . . . 0.0 111.095 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.56 -6.58 3.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.699 2.799 . . . . 0.0 116.247 172.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.5 p30 -49.44 -40.73 37.77 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.858 0.863 . . . . 0.0 111.812 172.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.2 -39.6 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 116.796 1.479 . . . . 0.0 116.796 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.22 -47.22 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 118.71 1.255 . . . . 0.0 113.664 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 37.46 38.58 0.14 Allowed 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 126.391 1.876 . . . . 0.0 114.749 -172.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.01 44.89 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.025 1.298 . . . . 0.0 115.896 -169.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.5 120.57 22.67 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.329 1.451 . . . . 0.0 112.008 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -83.04 144.67 29.77 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.227 1.011 . . . . 0.0 113.536 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 m -138.79 153.25 48.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.409 1.884 . . . . 0.0 109.955 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -141.37 140.29 33.68 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.688 1.195 . . . . 0.0 113.095 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -117.92 118.8 32.97 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 127.784 2.434 . . . . 0.0 111.576 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -82.61 -31.88 28.64 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.16 -0.962 . . . . 0.0 113.098 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.6 -24.04 54.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.935 0.894 . . . . 0.0 112.79 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.2 p -128.77 2.98 5.43 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.988 1.715 . . . . 0.0 113.514 -174.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 45.4 mmtm 53.71 39.37 30.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.376 1.47 . . . . 0.0 112.234 175.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -125.07 137.7 54.2 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.637 -169.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.95 145.74 34.97 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.243 2.617 . . . . 0.0 109.23 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.3 m -127.55 146.86 50.38 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.684 0.794 . . . . 0.0 110.428 173.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.9 t -129.95 128.98 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 126.668 1.987 . . . . 0.0 108.411 176.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.2 m -134.76 111.78 10.22 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.482 1.16 0 C-N-CA 126.409 1.883 . . . . 0.0 113.578 177.549 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -73.08 131.39 42.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.902 0.881 . . . . 0.0 111.514 174.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.68 159.34 31.05 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.752 1.621 . . . . 0.0 111.74 171.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -134.89 153.03 52.21 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.548 1.139 . . . . 0.0 112.828 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.38 133.15 44.99 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.257 2.223 . . . . 0.0 110.172 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.17 125.59 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.736 1.615 . . . . 0.0 108.421 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 66.3 tp -113.56 119.38 37.3 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.927 1.691 . . . . 0.0 109.223 -173.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.4 121.54 38.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.795 1.238 . . . . 0.0 109.817 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.37 166.29 35.24 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.472 1.034 . . . . 0.0 114.421 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -73.8 -35.37 64.88 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 0.0 113.729 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.6 p -90.86 -34.07 15.4 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.422 1.089 . . . . 0.0 113.426 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 tt -147.29 143.21 27.92 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.156 1.382 . . . . 0.0 112.044 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -135.44 152.47 51.42 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.345 1.458 . . . . 0.0 111.13 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.05 -174.64 46.67 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 116.166 1.226 . . . . 0.0 116.166 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -148.51 140.2 23.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.756 2.023 . . . . 0.0 111.389 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 4.3 p -139.29 164.14 30.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.297 1.039 . . . . 0.0 113.362 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -142.18 144.92 33.64 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.405 1.482 . . . . 0.0 110.932 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.442 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 8.5 t -143.63 166.17 25.59 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.314 1.846 . . . . 0.0 111.186 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -128.69 114.67 16.92 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.113 1.365 . . . . 0.0 110.398 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.88 166.25 22.74 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.74 1.616 . . . . 0.0 111.193 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.73 -39.73 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.344 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -154.18 171.62 18.89 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.026 1.331 . . . . 0.0 111.003 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.9 -29.44 41.86 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.226 1.81 . . . . 0.0 113.088 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.33 57.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.106 0.963 . . . . 0.0 111.868 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -71.41 -44.85 64.13 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.735 -1.228 . . . . 0.0 111.326 171.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.53 86.05 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.856 -1.153 . . . . 0.0 113.524 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -62.55 -42.49 99.57 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.367 0.667 . . . . 0.0 111.153 170.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -62.28 -49.51 75.39 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 122.01 -0.431 . . . . 0.0 112.018 176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -58.38 -51.72 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.185 0.994 . . . . 0.0 111.32 176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.442 ' CZ ' HG22 ' B' ' 18' ' ' THR . 23.5 m-85 -59.07 -36.21 74.69 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 176.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -71.48 -20.38 62.08 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 172.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.05 -45.16 74.67 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.659 -1.275 . . . . 0.0 112.17 171.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.59 -40.28 50.03 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.315 1.046 . . . . 0.0 113.26 176.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -110.97 30.97 6.39 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -169.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -54.7 -40.28 69.02 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -174.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -159.51 -60.1 0.07 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 126.578 1.951 . . . . 0.0 110.192 176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 66.22 -77.62 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 129.817 3.247 . . . . 0.0 111.44 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.28 11.12 0.32 Allowed Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.282 1.42 . . . . 0.0 115.565 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 m -137.54 -26.03 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -171.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 t0 40.04 45.3 1.62 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.646 1.579 . . . . 0.0 113.835 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.84 158.07 41.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.966 0.793 . . . . 0.0 114.791 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.74 125.39 26.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.386 1.475 . . . . 0.0 110.519 172.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -89.61 138.18 31.69 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.61 0.764 . . . . 0.0 111.597 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 7.7 m -138.72 152.23 47.82 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.842 2.057 . . . . 0.0 109.288 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -144.34 138.92 28.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 120.09 1.314 . . . . 0.0 111.935 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -118.01 111.98 19.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.633 1.973 . . . . 0.0 109.538 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -70.31 -36.79 74.52 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.947 1.299 . . . . 0.0 112.466 -177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.46 -8.81 14.93 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -129.52 12.66 5.93 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.534 1.534 . . . . 0.0 114.795 169.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 60.8 mmtt 42.59 39.55 1.64 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.0 m -126.11 136.89 53.44 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -106.92 145.62 31.99 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.596 2.358 . . . . 0.0 109.296 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 45.0 m -132.06 135.44 46.47 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.433 1.093 . . . . 0.0 110.062 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -125.14 120.23 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.71 1.604 . . . . 0.0 108.834 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 85.9 m -134.89 139.98 45.42 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.469 1.108 . . . . 0.0 112.752 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 117.927 -1.035 . . . . 0.0 111.54 169.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpt . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.49 134.54 43.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.001 0.92 . . . . 0.0 111.708 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.84 158.08 34.3 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.434 1.894 . . . . 0.0 111.222 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -134.48 154.73 51.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.737 1.215 . . . . 0.0 112.899 -174.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -134.63 126.43 29.16 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.478 2.311 . . . . 0.0 110.678 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -105.01 124.51 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.088 1.355 . . . . 0.0 109.44 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.2 tp -108.07 119.29 39.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.913 1.285 . . . . 0.0 111.455 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.83 126.1 50.15 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.097 1.359 . . . . 0.0 110.065 171.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.12 174.65 44.85 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.535 1.064 . . . . 0.0 114.776 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmpt? -91.08 -30.25 16.86 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.116 1.366 . . . . 0.0 112.972 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -99.64 -21.31 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.18 1.792 . . . . 0.0 114.031 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.51 141.43 22.02 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.566 1.546 . . . . 0.0 111.694 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.39 136.05 32.71 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.349 1.46 . . . . 0.0 110.241 174.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.78 -170.97 43.07 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 116.685 1.434 . . . . 0.0 116.685 -172.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.14 133.12 21.32 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.632 1.973 . . . . 0.0 111.437 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 p -134.57 162.48 32.18 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.176 0.99 . . . . 0.0 113.398 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.43 143.56 29.09 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.855 1.262 . . . . 0.0 111.335 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.468 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 7.6 t -144.32 165.84 26.75 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.43 1.492 . . . . 0.0 110.51 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -121.89 124.06 43.21 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.164 1.386 . . . . 0.0 110.492 170.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.27 164.95 26.89 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 125.983 1.713 . . . . 0.0 111.334 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 p -69.5 -38.7 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.357 175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -152.59 168.97 23.84 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.789 1.636 . . . . 0.0 111.76 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.9 -28.9 54.11 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.81 1.244 . . . . 0.0 113.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.03 -35.57 56.82 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.423 1.089 . . . . 0.0 111.483 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 m -69.47 -43.65 72.78 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 120.686 -1.259 . . . . 0.0 111.667 170.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.04 86.57 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 120.545 -1.347 . . . . 0.0 112.896 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.6 -43.23 97.65 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.146 0.579 . . . . 0.0 110.55 169.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.56 -49.69 74.28 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.358 0.527 . . . . 0.0 111.588 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.25 -51.54 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 O-C-N 121.339 -0.85 . . . . 0.0 111.689 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.7 m-85 -61.76 -38.05 86.55 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -68.06 -29.51 68.49 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.921 -0.487 . . . . 0.0 112.166 173.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.71 -37.59 87.94 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 119.736 -1.853 . . . . 0.0 112.332 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.48 -27.12 22.86 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -139.29 23.44 2.54 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 119.677 3.214 . . . . 0.0 119.677 -169.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -95.65 -37.72 10.69 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 119.089 -2.257 . . . . 0.0 114.275 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -143.38 9.83 1.64 Allowed 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 116.598 2.073 . . . . 0.0 116.598 -169.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.07 -28.26 69.34 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 120.934 -1.104 . . . . 0.0 111.806 170.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.01 -18.11 0.05 OUTLIER Glycine 0 N--CA 1.476 1.346 0 N-CA-C 117.638 1.815 . . . . 0.0 117.638 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.82 -54.79 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 117.912 0.856 . . . . 0.0 112.33 -173.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 39.24 37.86 0.29 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.407 1.883 . . . . 0.0 114.424 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.07 -176.97 40.78 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.386 1.47 . . . . 0.0 115.032 -169.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.6 125.65 32.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.939 1.296 . . . . 0.0 112.251 176.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.3 m95 -92.56 144.85 24.93 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.163 1.385 . . . . 0.0 113.422 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.9 m -139.0 156.04 47.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 126.346 1.858 . . . . 0.0 110.174 172.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -144.36 137.29 27.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.534 1.133 . . . . 0.0 113.12 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -118.32 103.27 9.65 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.857 2.063 . . . . 0.0 111.233 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.03 -34.85 73.95 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.987 1.315 . . . . 0.0 113.636 176.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.25 -21.67 35.82 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.617 1.167 . . . . 0.0 114.136 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -128.98 12.63 6.19 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.583 1.953 . . . . 0.0 112.948 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm 40.37 44.82 1.73 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.168 1.787 . . . . 0.0 114.665 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.8 m -127.71 134.62 49.56 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.882 0.849 . . . . 0.0 112.488 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -101.09 145.82 28.26 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.029 2.932 . . . . 0.0 109.666 175.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.6 m -125.22 146.36 49.55 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.733 0.813 . . . . 0.0 110.383 171.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -133.17 127.6 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 126.127 1.771 . . . . 0.0 109.93 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -134.65 111.69 10.21 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.871 1.668 . . . . 0.0 113.372 176.579 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.484 1.245 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -74.55 133.89 42.22 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.686 0.794 . . . . 0.0 111.2 174.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.64 160.46 28.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.079 1.752 . . . . 0.0 111.639 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -135.48 153.36 51.78 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.977 1.311 . . . . 0.0 112.212 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -132.39 111.02 10.96 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.747 2.019 . . . . 0.0 110.567 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mt -87.79 126.28 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.881 1.272 . . . . 0.0 108.607 169.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 53.2 tp -113.65 119.65 38.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.615 1.566 . . . . 0.0 110.002 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.86 139.15 52.82 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.1 -178.6 37.02 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.135 1.35 . . . . 0.0 114.164 -173.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -106.4 5.57 29.59 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.538 1.535 . . . . 0.0 113.736 -176.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.2 m -143.06 -41.71 0.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.913 1.685 . . . . 0.0 111.779 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -138.55 143.25 39.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.962 1.305 . . . . 0.0 111.146 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -134.27 162.13 33.02 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.615 1.966 . . . . 0.0 110.506 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.61 -170.49 43.13 Favored Glycine 0 N--CA 1.473 1.145 0 N-CA-C 116.552 1.381 . . . . 0.0 116.552 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -144.38 128.29 17.42 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.052 2.141 . . . . 0.0 110.337 176.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.8 p -133.44 166.32 22.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.127 0.971 . . . . 0.0 112.803 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.22 143.99 29.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.119 1.368 . . . . 0.0 111.752 -169.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -148.09 166.24 28.42 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.843 1.657 . . . . 0.0 111.204 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -124.58 124.56 42.5 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.675 1.19 . . . . 0.0 111.64 170.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 162.6 31.4 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 126.417 1.887 . . . . 0.0 112.0 -171.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.1 -38.02 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.458 175.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -155.07 170.37 21.94 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.726 1.61 . . . . 0.0 110.307 174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.89 34.16 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.304 1.842 . . . . 0.0 112.957 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.09 -34.71 71.4 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.92 1.688 . . . . 0.0 112.331 177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 99.0 m -79.28 -39.04 33.96 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.29 -0.881 . . . . 0.0 111.304 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.05 94.2 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.539 -1.351 . . . . 0.0 113.944 173.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -69.78 -31.66 69.72 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 169.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -63.84 -44.3 93.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.049 0.84 . . . . 0.0 112.382 170.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.15 -50.6 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 120.438 -1.414 . . . . 0.0 111.887 173.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -61.1 -38.36 86.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.094 -1.004 . . . . 0.0 113.301 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -72.88 -22.51 60.75 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.15 -0.969 . . . . 0.0 113.28 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -67.68 -35.92 79.73 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.76 1.164 . . . . 0.0 112.827 170.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.76 -37.93 39.95 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 171.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -109.81 27.89 9.12 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -58.26 -54.69 44.14 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -164.82 22.58 0.06 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 126.523 1.929 . . . . 0.0 114.219 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -59.62 -34.06 72.3 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.19 -31.98 0.08 OUTLIER Glycine 0 CA--C 1.532 1.127 0 N-CA-C 117.039 1.576 . . . . 0.0 117.039 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -67.9 -48.4 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 118.903 1.351 . . . . 0.0 113.419 -175.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 37.74 39.36 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 126.495 1.918 . . . . 0.0 114.353 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.33 173.72 51.82 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.673 1.13 . . . . 0.0 115.669 -169.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -73.74 120.05 18.8 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.326 1.451 . . . . 0.0 110.784 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -85.36 139.96 31.15 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.934 0.894 . . . . 0.0 111.719 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 m -138.86 154.91 48.46 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 127.404 2.282 . . . . 0.0 109.723 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -144.58 143.25 30.71 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 120.087 1.312 . . . . 0.0 112.998 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.06 119.2 34.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.535 2.334 . . . . 0.0 111.237 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -82.61 -26.69 32.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.299 -0.875 . . . . 0.0 113.318 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.26 -18.67 65.3 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -128.88 2.22 5.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 113.768 -1.56 . . . . 0.0 114.55 -176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt 50.74 36.12 13.55 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.626 1.57 . . . . 0.0 112.453 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 98.5 m -121.95 134.56 54.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.367 -170.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -103.12 145.69 29.53 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.922 2.089 . . . . 0.0 109.364 175.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -128.3 138.69 52.52 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.822 0.849 . . . . 0.0 110.351 173.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.73 130.51 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 125.801 1.641 . . . . 0.0 108.93 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.6 m -134.67 137.07 43.27 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.296 0.638 . . . . 0.0 112.25 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 . . . . . 0 C--O 1.248 0.997 0 C-N-CA 128.488 2.715 . . . . 0.0 108.781 -179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -80.77 135.59 36.0 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.737 0.815 . . . . 0.0 111.995 173.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.93 159.36 31.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.033 2.133 . . . . 0.0 111.276 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -135.52 155.21 50.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.304 1.042 . . . . 0.0 113.322 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -134.56 129.83 35.63 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.941 2.496 . . . . 0.0 110.15 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -112.82 126.54 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.106 1.362 . . . . 0.0 109.78 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.3 tp -106.67 119.39 39.18 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.468 1.507 . . . . 0.0 111.355 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -118.6 135.96 54.15 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.214 1.405 . . . . 0.0 110.41 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.28 -175.99 46.03 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -109.75 -35.31 6.22 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.379 1.472 . . . . 0.0 111.972 -175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.9 m -77.63 -34.25 53.35 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.704 1.201 . . . . 0.0 112.263 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.7 tp -151.72 149.46 29.1 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.151 1.381 . . . . 0.0 111.648 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -136.87 155.48 49.72 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.666 1.586 . . . . 0.0 109.509 169.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.17 -169.35 40.32 Favored Glycine 0 N--CA 1.475 1.272 0 N-CA-C 116.782 1.473 . . . . 0.0 116.782 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -144.24 142.63 30.6 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.352 1.861 . . . . 0.0 111.692 174.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -137.83 155.5 48.93 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.927 0.891 . . . . 0.0 113.377 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.49 140.09 25.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.831 1.252 . . . . 0.0 110.684 -171.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -152.72 163.55 39.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.66 1.184 . . . . 0.0 111.612 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.05 124.22 51.58 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.076 1.751 . . . . 0.0 110.512 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 165.11 26.5 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 125.557 1.543 . . . . 0.0 111.752 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.07 -40.55 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 176.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -152.03 169.7 21.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.582 1.553 . . . . 0.0 110.881 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -32.4 35.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.483 1.913 . . . . 0.0 112.704 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.71 -37.76 65.06 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.892 1.277 . . . . 0.0 112.217 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 m -70.93 -43.6 67.88 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.645 -1.285 . . . . 0.0 112.262 173.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.48 89.94 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.794 -1.191 . . . . 0.0 113.014 171.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.311 0.645 . . . . 0.0 110.908 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -65.96 -45.69 80.85 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.169 0.895 . . . . 0.0 113.204 175.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.6 -49.16 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 O-C-N 120.33 -1.481 . . . . 0.0 111.528 173.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.53 -41.7 94.98 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -67.83 -27.29 66.58 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.295 -0.878 . . . . 0.0 112.657 174.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -65.95 -32.41 73.88 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 119.574 -1.954 . . . . 0.0 112.829 171.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -91.51 -13.46 32.1 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -138.49 22.89 2.73 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -58.06 -70.51 0.14 Allowed 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -160.31 23.21 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.111 2.164 . . . . 0.0 112.951 -174.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.9 p30 -57.72 -38.54 75.47 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 123.789 0.836 . . . . 0.0 112.665 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.75 -35.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 116.603 1.401 . . . . 0.0 116.603 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.35 -46.34 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-N 118.802 1.301 . . . . 0.0 113.016 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.32 41.11 0.22 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.565 1.946 . . . . 0.0 113.831 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.38 174.84 38.74 Favored Glycine 0 CA--C 1.533 1.186 0 N-CA-C 116.491 1.356 . . . . 0.0 116.491 -169.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.05 115.07 17.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.129 1.371 . . . . 0.0 110.611 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -80.23 140.82 36.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.943 0.897 . . . . 0.0 111.712 176.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 m -138.97 152.2 47.49 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.633 1.973 . . . . 0.0 109.769 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -143.23 135.9 27.54 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.401 1.08 . . . . 0.0 112.401 175.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -118.1 101.57 8.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 127.006 2.122 . . . . 0.0 110.399 173.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.1 -33.45 76.05 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -19.03 13.76 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.98 1.312 . . . . 0.0 114.233 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -128.82 12.74 6.29 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 42.16 44.89 3.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.256 1.822 . . . . 0.0 114.441 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -130.95 139.21 50.01 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.92 0.867 . . . . 0.0 112.724 -172.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -105.91 145.77 30.85 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.868 2.867 . . . . 0.0 109.571 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 m -129.64 142.75 50.67 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.987 0.915 . . . . 0.0 109.824 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.5 t -133.11 131.02 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.474 1.509 . . . . 0.0 109.977 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.76 139.66 45.32 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.703 1.201 . . . . 0.0 112.214 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 N--CA 1.483 1.206 0 C-N-CA 124.891 1.276 . . . . 0.0 111.852 177.22 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -73.05 132.84 43.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.785 0.834 . . . . 0.0 111.341 172.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -124.55 155.7 38.59 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.867 1.667 . . . . 0.0 111.345 172.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -134.72 150.8 50.64 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.573 1.149 . . . . 0.0 112.017 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -128.43 126.58 40.86 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 127.2 2.2 . . . . 0.0 109.813 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -107.84 122.18 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.565 1.546 . . . . 0.0 108.6 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 58.4 tp -105.8 119.68 39.79 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.471 1.908 . . . . 0.0 109.876 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -118.43 133.02 56.22 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.086 0.955 . . . . 0.0 109.455 175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.43 177.97 46.71 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -98.93 -26.16 14.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.382 1.873 . . . . 0.0 111.301 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -75.62 -43.42 48.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.925 1.29 . . . . 0.0 111.954 173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -151.87 152.08 32.12 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -130.83 148.08 52.56 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.887 1.275 . . . . 0.0 109.503 169.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.8 -173.17 44.54 Favored Glycine 0 N--CA 1.475 1.258 0 N-CA-C 116.765 1.466 . . . . 0.0 116.765 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -146.35 141.21 27.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.301 1.84 . . . . 0.0 111.721 173.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -137.73 160.63 38.69 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.677 1.191 . . . . 0.0 112.784 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -143.94 141.24 30.12 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.253 1.421 . . . . 0.0 111.427 -173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -142.71 166.32 24.99 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.094 2.157 . . . . 0.0 111.451 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.54 113.19 16.45 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.237 1.415 . . . . 0.0 110.429 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.69 163.44 24.28 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 111.621 -169.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 p -68.23 -39.28 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.349 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -154.98 167.99 28.47 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.527 1.531 . . . . 0.0 109.748 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.04 15.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.877 2.071 . . . . 0.0 113.092 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.3 -33.23 55.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.785 1.234 . . . . 0.0 112.564 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 86.8 m -76.39 -40.2 51.6 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 120.654 -1.279 . . . . 0.0 111.708 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.57 84.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.692 -1.255 . . . . 0.0 112.231 169.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -62.46 -40.47 96.72 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.317 169.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.26 -47.83 80.76 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.727 0.694 . . . . 0.0 112.524 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 83.6 t -60.7 -52.12 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 O-C-N 120.517 -1.365 . . . . 0.0 111.786 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -59.23 -39.45 82.79 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.51 -20.44 59.98 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -71.82 -43.98 64.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.718 1.145 . . . . 0.0 111.822 170.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.09 -48.64 67.59 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.315 -0.866 . . . . 0.0 112.159 172.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -88.52 33.07 0.76 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.886 1.674 . . . . 0.0 114.006 -176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -68.68 69.15 0.16 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 128.569 2.748 . . . . 0.0 114.513 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 50.72 44.17 27.8 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.103 1.761 . . . . 0.0 113.855 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -61.99 -37.26 84.14 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-O 121.929 0.871 . . . . 0.0 110.974 173.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.83 -27.4 0.13 Allowed Glycine 0 CA--C 1.533 1.207 0 N-CA-C 116.964 1.546 . . . . 0.0 116.964 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.51 -48.82 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 118.434 1.117 . . . . 0.0 112.849 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 33.49 44.51 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.279 2.231 . . . . 0.0 113.834 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.29 175.75 48.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -169.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -75.66 120.81 21.56 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.951 1.3 . . . . 0.0 109.681 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -88.35 142.49 27.69 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.651 0.781 . . . . 0.0 111.074 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -138.81 153.84 48.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.991 2.116 . . . . 0.0 109.486 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -146.84 137.69 23.92 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.42 1.464 . . . . 0.0 112.868 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.13 112.25 19.92 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.954 2.102 . . . . 0.0 109.53 169.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -74.1 -34.57 64.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.501 0.72 . . . . 0.0 112.68 -177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.43 -10.3 4.71 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 125.708 1.603 . . . . 0.0 115.078 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.4 t -129.46 11.55 5.83 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 125.74 1.616 . . . . 0.0 114.201 169.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp 37.57 41.46 0.29 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.514 1.926 . . . . 0.0 114.736 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.26 140.28 52.65 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.311 -0.868 . . . . 0.0 112.135 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.74 145.66 40.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 127.676 2.39 . . . . 0.0 109.751 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.1 m -132.15 130.54 41.26 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.87 0.868 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.43 131.27 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.262 1.425 . . . . 0.0 109.702 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 95.2 m -134.73 132.53 38.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.035 0.934 . . . . 0.0 111.857 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 . . . . . 0 N--CA 1.487 1.4 0 C-N-CA 124.809 1.243 . . . . 0.0 112.548 173.67 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 tpp . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.04 133.96 44.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.998 0.919 . . . . 0.0 111.368 172.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -125.02 158.28 34.11 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.918 1.687 . . . . 0.0 111.606 170.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.44 152.76 51.69 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.549 1.14 . . . . 0.0 113.093 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -131.47 111.94 12.24 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.817 2.447 . . . . 0.0 110.529 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.7 mt -89.63 128.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 109.08 171.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.6 tp -113.73 119.77 38.53 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.467 1.507 . . . . 0.0 112.191 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -115.62 134.64 54.85 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.358 172.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.77 176.41 46.31 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 -178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -99.4 -41.12 7.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.973 1.709 . . . . 0.0 111.282 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 m -78.82 -35.42 44.13 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.012 1.325 . . . . 0.0 112.36 174.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -151.81 149.97 29.61 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.044 1.337 . . . . 0.0 111.716 -176.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -134.05 160.26 38.3 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.416 1.886 . . . . 0.0 110.034 172.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.66 -174.82 46.3 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.465 1.346 . . . . 0.0 116.465 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -146.72 134.79 21.54 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.514 1.926 . . . . 0.0 110.701 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 p -137.81 159.14 42.81 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -141.65 142.8 33.39 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.939 1.296 . . . . 0.0 110.8 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.6 t -144.64 164.91 29.56 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.898 1.679 . . . . 0.0 110.023 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -121.91 124.04 43.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.059 1.343 . . . . 0.0 110.793 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.34 166.51 23.3 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.866 1.666 . . . . 0.0 111.645 -173.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.07 -40.04 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.436 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.82 168.27 24.95 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.37 1.468 . . . . 0.0 110.524 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.11 -27.01 42.08 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.655 1.582 . . . . 0.0 112.822 176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.3 62.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.018 1.327 . . . . 0.0 111.867 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.4 m -74.22 -42.49 59.67 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.726 -1.234 . . . . 0.0 111.944 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.45 84.1 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 120.655 -1.278 . . . . 0.0 113.151 171.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -63.61 -39.78 95.23 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.668 0.787 . . . . 0.0 111.138 169.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -64.53 -46.1 84.32 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.6 0.636 . . . . 0.0 112.46 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -58.79 -51.78 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 120.482 -1.386 . . . . 0.0 111.474 173.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -61.24 -40.18 93.08 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -69.18 -22.78 63.88 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -73.5 -42.08 62.28 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.359 1.436 . . . . 0.0 111.902 169.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -74.48 -21.2 59.69 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -128.59 33.08 4.72 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.69 -61.97 1.69 Allowed 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -175.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -162.63 14.86 0.08 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 126.193 1.797 . . . . 0.0 114.704 -172.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -63.59 -31.53 72.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.488 0.715 . . . . 0.0 112.524 175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.44 -27.99 0.04 OUTLIER Glycine 0 CA--C 1.532 1.125 0 N-CA-C 116.787 1.475 . . . . 0.0 116.787 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.97 -62.16 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 118.461 1.131 . . . . 0.0 112.615 -173.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.3 t0 36.84 43.01 0.25 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 126.549 1.939 . . . . 0.0 114.525 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.8 -173.12 23.69 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.437 1.494 . . . . 0.0 115.836 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -86.38 123.13 31.27 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.897 1.679 . . . . 0.0 112.312 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.8 m95 -93.38 144.65 25.13 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.646 1.179 . . . . 0.0 113.626 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -138.9 152.89 48.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 127.431 2.292 . . . . 0.0 109.922 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -143.0 137.43 29.31 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.463 1.105 . . . . 0.0 112.838 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.08 104.31 10.73 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.871 2.069 . . . . 0.0 110.777 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.14 -37.58 80.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.198 1.399 . . . . 0.0 113.569 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 -19.48 15.73 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.039 1.336 . . . . 0.0 114.585 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.96 12.77 6.23 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.787 2.035 . . . . 0.0 113.076 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 40.91 45.02 2.09 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 126.171 1.789 . . . . 0.0 114.41 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -131.06 138.05 49.42 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 121.758 0.789 . . . . 0.0 113.116 -172.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.39 145.75 29.51 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 128.655 2.782 . . . . 0.0 109.418 175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 53.7 m -134.82 126.32 28.62 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.043 0.937 . . . . 0.0 111.081 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.82 133.28 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 111.76 -173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.5 m -134.98 111.9 10.18 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -174.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.488 1.43 0 C-N-CA 125.225 1.41 . . . . 0.0 113.325 175.349 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.3 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -73.01 131.57 42.31 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.773 0.829 . . . . 0.0 111.619 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -124.71 158.94 32.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.869 1.668 . . . . 0.0 112.128 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -134.36 155.24 50.61 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 112.527 -173.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -133.25 125.43 29.31 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.13 2.172 . . . . 0.0 110.151 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 40.3 mt -106.61 124.76 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.985 1.714 . . . . 0.0 108.467 173.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 48.3 tp -113.6 119.63 38.14 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.512 1.525 . . . . 0.0 110.599 -171.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -119.95 115.38 23.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.885 1.274 . . . . 0.0 110.433 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.51 177.64 34.22 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.567 1.079 . . . . 0.0 114.969 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -101.32 -32.3 10.55 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.395 1.478 . . . . 0.0 112.243 -173.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.0 m -79.76 -41.69 26.06 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.042 0.937 . . . . 0.0 111.532 170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -150.69 146.66 26.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.747 1.219 . . . . 0.0 112.068 -173.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.99 155.7 48.68 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.121 1.768 . . . . 0.0 110.745 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.66 -171.85 44.29 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -145.21 139.7 27.38 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.669 1.988 . . . . 0.0 111.258 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -139.97 162.42 35.24 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.226 1.01 . . . . 0.0 113.073 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.0 m -143.95 140.89 29.91 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.092 1.357 . . . . 0.0 111.093 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.414 HG22 ' CZ ' ' B' ' 30' ' ' PHE . 7.4 t -142.56 166.28 25.09 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.712 2.005 . . . . 0.0 111.358 -174.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -125.82 117.31 23.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.857 1.263 . . . . 0.0 110.838 174.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.43 165.15 23.22 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 125.581 1.553 . . . . 0.0 111.799 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.68 -38.9 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.183 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -155.61 168.69 26.32 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.559 1.543 . . . . 0.0 109.426 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -29.7 32.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 125.951 1.7 . . . . 0.0 112.771 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.17 64.87 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.093 -1.005 . . . . 0.0 112.171 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.1 m -75.15 -40.79 59.33 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.749 -1.219 . . . . 0.0 111.637 172.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 120.532 -1.355 . . . . 0.0 113.489 171.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.442 170.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.98 -49.47 74.57 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.243 0.474 . . . . 0.0 112.126 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.22 -52.77 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.228 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' B' ' 18' ' ' THR . 24.7 m-85 -59.98 -38.01 81.32 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -68.31 -21.13 64.78 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 172.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -71.42 -47.67 54.47 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.593 1.542 . . . . 0.0 111.192 169.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -68.48 -28.9 67.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.101 1.36 . . . . 0.0 114.088 178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -124.21 31.85 5.68 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.35 -61.04 2.61 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -163.31 15.73 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.909 1.684 . . . . 0.0 114.94 -172.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -64.44 -29.26 70.31 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.09 -24.1 0.05 OUTLIER Glycine 0 N--CA 1.472 1.052 0 N-CA-C 117.2 1.64 . . . . 0.0 117.2 171.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.77 -57.57 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.307 1.054 . . . . 0.0 112.433 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t0 35.74 41.14 0.1 Allowed 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.171 2.189 . . . . 0.0 115.007 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.92 179.02 28.67 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.044 1.307 . . . . 0.0 115.014 -169.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.6 136.53 42.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.942 1.297 . . . . 0.0 110.644 170.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -104.31 143.3 33.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.969 1.308 . . . . 0.0 112.056 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.97 155.65 47.86 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 126.648 1.979 . . . . 0.0 110.581 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -148.92 144.57 26.93 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.437 1.471 . . . . 0.0 112.721 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.93 114.83 23.79 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.778 2.031 . . . . 0.0 111.402 173.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -82.74 -11.69 58.12 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.386 -1.446 . . . . 0.0 114.661 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.49 -20.95 53.53 Favored 'General case' 0 CA--C 1.558 1.275 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 170.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . 0.318 2.3 t -129.6 8.27 5.37 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 52.52 39.53 28.08 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.043 1.737 . . . . 0.0 113.909 174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 95.5 m -126.63 139.71 52.97 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.706 1.202 . . . . 0.0 110.534 -172.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -108.36 145.52 34.38 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 127.237 2.215 . . . . 0.0 108.968 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 48.5 m -130.7 126.61 36.95 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.64 0.776 . . . . 0.0 110.03 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.4 t -122.43 127.98 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.605 1.162 . . . . 0.0 109.744 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -134.83 130.68 36.42 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.689 0.795 . . . . 0.0 113.063 -171.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 125.036 1.335 . . . . 0.0 112.04 169.866 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -73.13 133.93 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.176 0.99 . . . . 0.0 111.151 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.8 159.1 31.77 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.074 1.75 . . . . 0.0 111.462 170.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -135.22 152.55 51.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.678 1.191 . . . . 0.0 112.854 -174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.84 117.87 19.1 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 127.294 2.238 . . . . 0.0 110.533 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.0 mt -94.1 122.47 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.054 1.341 . . . . 0.0 109.319 174.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.6 tp -103.29 119.45 38.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.334 1.454 . . . . 0.0 110.979 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.3 145.47 45.05 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 110.4 169.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.82 -166.68 39.37 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.988 0.804 . . . . 0.0 114.438 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -121.19 -24.74 5.43 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.996 2.118 . . . . 0.0 112.456 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.7 m -80.25 -38.0 31.82 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.408 1.083 . . . . 0.0 111.501 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -151.76 151.01 30.82 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.541 1.536 . . . . 0.0 111.63 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -136.41 156.35 48.74 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.864 1.666 . . . . 0.0 109.715 169.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.1 -168.24 38.47 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 116.638 1.415 . . . . 0.0 116.638 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -146.69 139.16 25.0 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.865 1.666 . . . . 0.0 111.731 172.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -134.69 161.4 35.24 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.203 1.001 . . . . 0.0 113.066 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.4 141.34 27.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.184 -172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -143.57 166.07 25.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.911 1.685 . . . . 0.0 110.691 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -121.36 123.75 42.87 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.002 1.721 . . . . 0.0 109.95 173.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.17 165.86 24.74 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.446 1.498 . . . . 0.0 111.137 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 p -65.45 -45.23 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 172.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.45 170.32 19.89 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.531 1.132 . . . . 0.0 113.152 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -24.33 8.49 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.709 2.003 . . . . 0.0 113.425 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.48 -41.89 45.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.79 1.636 . . . . 0.0 111.511 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.3 m -71.45 -44.0 65.63 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.625 -1.297 . . . . 0.0 111.899 170.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -37.57 83.39 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 120.849 -1.157 . . . . 0.0 113.651 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.03 -32.17 64.92 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 118.728 -0.653 . . . . 0.0 112.545 170.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.39 -46.52 88.25 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.248 0.931 . . . . 0.0 110.926 172.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.54 -52.26 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.264 -0.897 . . . . 0.0 111.181 175.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -59.52 -36.96 77.12 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.84 -20.44 65.15 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.98 -43.17 68.61 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 119.825 -1.797 . . . . 0.0 113.287 172.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.03 -21.22 29.52 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.787 1.235 . . . . 0.0 113.912 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -131.14 113.67 14.18 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.599 1.56 . . . . 0.0 112.49 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -173.19 -155.84 0.08 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 127.257 2.223 . . . . 0.0 109.773 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.71 -9.09 0.19 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.411 2.285 . . . . 0.0 116.805 173.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -56.42 -35.92 68.36 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.228 0.611 . . . . 0.0 112.287 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.9 -6.13 0.03 OUTLIER Glycine 0 N--CA 1.473 1.129 0 N-CA-C 117.022 1.569 . . . . 0.0 117.022 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.57 61.06 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 123.33 1.538 . . . . 0.0 113.961 -176.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -76.42 46.42 0.43 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.246 1.818 . . . . 0.0 109.196 169.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.21 -161.75 20.72 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 127.528 2.489 . . . . 0.0 115.832 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.95 148.74 45.71 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.198 1.399 . . . . 0.0 112.597 177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -121.07 138.26 54.27 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.687 1.195 . . . . 0.0 113.328 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -138.85 151.37 46.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.728 1.611 . . . . 0.0 109.965 172.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -143.46 136.48 27.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.853 1.261 . . . . 0.0 112.08 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -118.0 103.9 10.35 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.011 2.124 . . . . 0.0 110.3 173.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.34 -31.34 71.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.29 38.4 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 t -128.94 12.68 6.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.828 2.051 . . . . 0.0 113.503 177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt 41.42 43.8 2.27 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.047 1.739 . . . . 0.0 114.57 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -127.88 138.05 52.54 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.824 0.821 . . . . 0.0 112.775 -171.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -108.21 145.94 33.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.05 2.94 . . . . 0.0 109.49 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -125.63 143.17 51.14 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.756 0.822 . . . . 0.0 110.825 173.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.26 132.04 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.5 1.92 . . . . 0.0 110.29 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -134.72 139.1 44.94 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.712 1.205 . . . . 0.0 111.7 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.697 172.55 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.465 ' SD ' ' HE3' ' B' ' 50' ' ' LYS . 56.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -73.74 133.53 43.33 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.491 0.716 . . . . 0.0 111.441 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -124.73 157.01 36.72 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.906 1.682 . . . . 0.0 111.759 171.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -132.36 151.62 51.78 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.831 1.252 . . . . 0.0 112.314 -174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -129.02 132.64 47.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.008 2.123 . . . . 0.0 109.855 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 46.2 mt -114.89 125.7 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.664 1.586 . . . . 0.0 108.7 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 55.3 tp -108.82 119.7 40.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.131 1.772 . . . . 0.0 109.899 -175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -119.87 131.12 55.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.468 1.107 . . . . 0.0 109.13 174.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.33 -175.08 44.28 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -171.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -110.93 -28.44 8.35 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 112.182 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.1 m -87.9 -34.86 18.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.238 1.015 . . . . 0.0 112.168 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 tp -151.61 148.19 27.68 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.715 1.206 . . . . 0.0 112.737 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -134.92 154.37 51.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.915 1.286 . . . . 0.0 110.313 169.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.25 -169.94 40.65 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -145.28 142.6 29.61 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.065 1.746 . . . . 0.0 111.746 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.6 p -137.62 164.1 29.61 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.497 1.119 . . . . 0.0 112.903 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 m -146.47 143.21 28.82 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.278 1.431 . . . . 0.0 111.406 -173.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.6 t -146.06 166.31 26.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.445 1.898 . . . . 0.0 111.141 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -123.88 122.63 38.49 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.416 1.087 . . . . 0.0 111.166 170.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.87 165.4 23.94 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.372 1.869 . . . . 0.0 111.457 -172.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.1 p -67.5 -40.04 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.342 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -153.97 169.46 23.42 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.663 1.585 . . . . 0.0 110.492 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.6 -33.07 31.31 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 126.76 2.024 . . . . 0.0 112.781 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.87 -31.87 63.35 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.217 1.007 . . . . 0.0 112.549 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 m -77.72 -41.27 38.41 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 120.911 -1.118 . . . . 0.0 111.46 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.73 92.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.538 -1.351 . . . . 0.0 113.267 171.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -61.89 -41.82 98.34 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.584 0.753 . . . . 0.0 111.005 170.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.8 -47.46 83.37 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 73.6 t -58.68 -50.94 77.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 CA-C-N 120.357 1.435 . . . . 0.0 111.589 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.23 -38.5 83.61 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -73.19 -20.33 60.91 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 174.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -70.97 -39.85 72.3 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.409 1.459 . . . . 0.0 112.563 171.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.11 -45.13 58.72 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.247 -0.908 . . . . 0.0 112.773 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -104.42 29.56 5.99 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -169.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.01 -57.83 11.16 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -174.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -167.03 26.43 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.081 2.153 . . . . 0.0 113.31 -173.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -57.75 -38.16 74.88 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.309 0.644 . . . . 0.0 112.717 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.94 -28.08 0.12 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.44 1.495 . . . . 0.0 115.817 -177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.73 -48.73 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 119.114 1.457 . . . . 0.0 112.796 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 37.22 40.11 0.17 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.253 2.221 . . . . 0.0 114.865 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.52 178.25 41.18 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.963 1.268 . . . . 0.0 114.8 -170.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.86 148.64 42.17 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.117 1.367 . . . . 0.0 111.611 170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -118.21 139.36 51.4 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.622 1.569 . . . . 0.0 112.751 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -138.87 153.91 48.35 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.847 2.059 . . . . 0.0 109.858 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -144.59 142.54 30.24 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.104 1.362 . . . . 0.0 112.567 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -118.12 121.5 40.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.284 2.234 . . . . 0.0 111.316 172.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.6 -28.84 30.58 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.312 -0.868 . . . . 0.0 112.831 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.01 -17.2 64.53 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 36.8 p -128.97 1.94 5.3 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.687 -1.597 . . . . 0.0 114.458 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.465 ' HE3' ' SD ' ' B' ' 1' ' ' MET . 52.4 mmtt 50.06 36.1 11.35 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.492 1.517 . . . . 0.0 112.327 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.1 m -123.01 138.32 54.72 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.826 -169.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -113.24 145.53 40.86 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.549 2.339 . . . . 0.0 109.166 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 35.2 m -130.03 137.03 50.03 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.815 0.846 . . . . 0.0 109.989 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.9 126.23 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.888 1.675 . . . . 0.0 108.983 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 84.8 m -134.88 126.4 28.67 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 124.346 1.059 . . . . 0.0 111.966 169.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -81.74 135.13 35.5 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.032 0.933 . . . . 0.0 111.964 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -124.87 158.35 33.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.984 2.113 . . . . 0.0 111.646 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -131.14 155.29 47.26 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.524 1.13 . . . . 0.0 112.419 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.83 133.1 42.91 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.922 2.489 . . . . 0.0 110.387 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.5 mt -115.24 126.28 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 125.253 1.421 . . . . 0.0 109.692 176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.5 tp -109.65 116.33 31.54 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.16 1.384 . . . . 0.0 111.594 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.06 112.46 19.16 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.479 1.912 . . . . 0.0 110.916 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.04 168.09 38.36 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 124.086 0.851 . . . . 0.0 114.806 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.48 -35.72 58.24 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.132 1.373 . . . . 0.0 113.072 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 p -83.15 -33.68 26.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.83 2.052 . . . . 0.0 114.123 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.9 tp -151.96 147.72 26.89 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.037 1.335 . . . . 0.0 111.42 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -134.48 151.83 51.4 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.619 1.168 . . . . 0.0 109.329 169.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.17 -174.03 44.23 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 116.696 1.438 . . . . 0.0 116.696 -177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -145.71 131.9 19.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 126.518 1.927 . . . . 0.0 111.766 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -135.87 158.7 43.76 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m -146.24 139.03 25.52 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.682 1.193 . . . . 0.0 111.265 -171.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.8 t -143.27 159.93 41.43 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.354 1.861 . . . . 0.0 111.018 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -117.27 120.36 38.0 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.692 1.597 . . . . 0.0 110.298 172.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.32 167.15 21.86 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.494 1.518 . . . . 0.0 111.694 -172.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.4 -37.28 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.858 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -154.73 172.47 17.89 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.428 1.891 . . . . 0.0 111.699 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.69 -32.03 65.05 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.645 1.178 . . . . 0.0 113.263 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.89 -36.68 64.81 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.493 1.117 . . . . 0.0 111.418 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.2 m -68.02 -45.14 74.85 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.016 -1.053 . . . . 0.0 112.063 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.62 93.43 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.864 -1.147 . . . . 0.0 113.188 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.21 -40.92 95.78 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.871 0.868 . . . . 0.0 110.746 170.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -65.58 -43.93 88.22 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.264 0.938 . . . . 0.0 112.959 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -58.61 -49.75 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.357 -1.464 . . . . 0.0 111.622 172.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -60.17 -44.09 95.29 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -64.95 -29.5 70.44 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.499 -0.751 . . . . 0.0 112.216 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -69.51 -33.98 73.62 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.095 1.316 . . . . 0.0 113.695 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -80.33 -20.98 42.97 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.253 46.9 m-85 -121.21 30.51 6.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.589 1.556 . . . . 0.0 115.08 -174.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -63.12 49.15 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 129.771 3.228 . . . . 0.0 116.425 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 t0 50.05 60.53 3.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.309 1.844 . . . . 0.0 114.222 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -65.33 -38.3 89.71 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.488 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.61 42.04 0.04 OUTLIER Glycine 0 N--CA 1.473 1.129 0 C-N-CA 125.361 1.458 . . . . 0.0 116.097 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.37 -52.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.804 1.302 . . . . 0.0 113.342 -175.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 31.76 52.93 0.23 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 127.58 2.352 . . . . 0.0 115.395 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.06 168.76 36.73 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-O 121.791 0.662 . . . . 0.0 114.589 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.73 115.47 4.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.831 1.653 . . . . 0.0 110.814 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -80.03 137.01 36.71 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.78 0.8 . . . . 0.0 110.403 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 m -138.99 152.36 47.59 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 126.493 1.917 . . . . 0.0 109.571 -177.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -143.9 140.24 29.63 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -118.01 120.93 39.3 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 128.452 2.701 . . . . 0.0 112.336 174.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.93 -31.45 31.3 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.149 1.78 . . . . 0.0 113.614 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.09 64.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.823 0.849 . . . . 0.0 112.541 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.8 p -128.61 -6.3 5.19 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.465 1.506 . . . . 0.0 113.695 -171.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm 59.77 45.25 12.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.119 1.368 . . . . 0.0 111.98 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 m -122.26 136.59 54.93 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.987 -172.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -107.71 145.71 33.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.518 2.327 . . . . 0.0 110.105 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 m -129.56 146.24 51.39 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.949 0.9 . . . . 0.0 110.555 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -133.04 121.93 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 126.181 1.793 . . . . 0.0 109.069 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -134.94 139.06 44.64 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.846 1.258 . . . . 0.0 113.646 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.484 1.225 0 CA-C-N 120.273 1.397 . . . . 0.0 111.589 172.284 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -77.43 132.64 38.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.056 0.942 . . . . 0.0 111.627 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -124.52 157.37 35.49 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.046 1.738 . . . . 0.0 111.616 173.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -135.5 152.24 51.14 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.748 1.219 . . . . 0.0 112.275 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.71 130.82 45.96 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.114 2.166 . . . . 0.0 110.757 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.0 mt -109.04 112.99 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.878 1.671 . . . . 0.0 108.617 173.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 tp -93.84 119.67 33.09 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.377 1.871 . . . . 0.0 110.139 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -118.29 141.41 48.55 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.79 0.836 . . . . 0.0 110.397 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.89 -174.55 46.76 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.473 1.035 . . . . 0.0 113.867 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -108.36 -34.51 6.78 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.467 1.507 . . . . 0.0 112.151 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.6 m -71.91 -43.57 65.11 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.782 0.833 . . . . 0.0 111.545 170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.3 tp -146.68 145.94 30.19 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.376 1.07 . . . . 0.0 112.696 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -130.85 153.22 49.34 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.997 1.319 . . . . 0.0 110.52 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.46 -172.79 44.23 Favored Glycine 0 N--CA 1.474 1.206 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -144.56 135.53 25.03 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.566 1.947 . . . . 0.0 111.317 177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 p -136.86 163.2 31.22 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.937 0.895 . . . . 0.0 113.057 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -146.25 141.68 27.61 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.18 1.392 . . . . 0.0 111.212 -172.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -144.34 166.32 25.41 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.669 1.988 . . . . 0.0 111.794 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -119.83 127.11 52.45 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.317 1.447 . . . . 0.0 109.061 172.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.44 163.46 30.42 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 125.435 1.494 . . . . 0.0 111.718 -173.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 p -72.3 -36.48 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.835 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -155.27 169.67 23.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.858 1.663 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.25 -35.91 60.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.716 1.206 . . . . 0.0 112.719 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.78 70.9 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 120.894 -1.129 . . . . 0.0 111.759 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -67.89 -45.49 74.33 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.265 1.026 . . . . 0.0 111.708 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.61 97.46 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.678 -1.264 . . . . 0.0 113.425 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -61.66 -42.04 98.36 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.057 0.943 . . . . 0.0 110.983 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.68 -47.32 85.87 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 80.2 t -59.07 -51.17 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 119.622 1.101 . . . . 0.0 111.544 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -60.47 -38.25 83.63 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.297 -0.877 . . . . 0.0 113.328 178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.81 -20.47 61.14 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.77 -42.26 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.578 1.081 . . . . 0.0 111.254 169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.94 -42.43 26.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.489 1.115 . . . . 0.0 113.661 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -104.76 26.54 9.01 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.646 1.178 . . . . 0.0 114.136 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -55.91 -56.31 22.23 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -170.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -165.43 35.34 0.06 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.963 1.705 . . . . 0.0 112.62 -170.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.49 -25.26 60.37 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.185 0.993 . . . . 0.0 112.311 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.3 0.28 0.25 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 127.663 2.554 . . . . 0.0 115.219 -173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -124.86 35.28 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 127.095 2.158 . . . . 0.0 111.516 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -67.44 51.06 0.05 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 127.559 2.343 . . . . 0.0 112.209 169.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.4 -160.01 22.18 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 127.366 2.412 . . . . 0.0 114.183 -169.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.9 118.86 16.36 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.745 1.218 . . . . 0.0 111.26 175.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -95.74 142.94 27.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.471 1.108 . . . . 0.0 110.031 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 43.1 m -138.78 153.47 48.43 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.39 1.876 . . . . 0.0 109.263 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -142.94 138.74 30.34 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.776 1.23 . . . . 0.0 111.378 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.96 110.91 18.28 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.228 1.811 . . . . 0.0 109.063 170.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.5 -34.77 67.88 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.618 0.767 . . . . 0.0 112.091 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -9.81 12.12 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 t -129.5 12.52 5.93 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 124.754 1.222 . . . . 0.0 113.308 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 39.21 43.39 0.87 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.469 1.907 . . . . 0.0 115.366 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 91.0 m -131.01 140.04 50.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.403 -0.811 . . . . 0.0 112.934 -171.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -110.82 145.75 37.63 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.326 2.65 . . . . 0.0 110.455 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 53.6 m -128.65 141.44 51.34 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.7 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -129.49 136.41 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.768 0.827 . . . . 0.0 111.022 170.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 m -134.91 139.63 45.13 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.7 1.2 . . . . 0.0 110.958 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.486 1.337 0 C-N-CA 124.458 1.103 . . . . 0.0 112.466 172.177 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 tpt . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -73.47 136.25 44.17 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.637 0.775 . . . . 0.0 111.137 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -124.93 158.2 34.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.176 1.79 . . . . 0.0 111.141 170.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -132.87 154.85 49.96 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.689 1.196 . . . . 0.0 112.514 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -132.68 129.98 39.49 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.406 2.682 . . . . 0.0 109.956 -176.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.3 mt -110.01 123.57 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.346 1.458 . . . . 0.0 109.605 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.7 tp -105.41 117.32 33.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.871 1.269 . . . . 0.0 111.317 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -120.13 116.18 25.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.29 1.836 . . . . 0.0 110.409 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.31 168.54 40.97 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.083 0.849 . . . . 0.0 114.557 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -79.27 -37.13 38.61 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.9 p -84.44 -29.36 26.17 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.69 145.69 25.23 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.474 1.51 . . . . 0.0 111.632 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -134.61 155.05 51.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.315 1.446 . . . . 0.0 109.812 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.07 -165.03 35.72 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 116.23 1.252 . . . . 0.0 116.23 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -143.8 144.05 31.62 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.593 1.557 . . . . 0.0 112.425 172.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -138.26 158.46 44.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.438 1.095 . . . . 0.0 113.39 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -143.64 140.22 30.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.097 1.359 . . . . 0.0 110.853 -171.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.42 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 8.4 t -145.51 166.05 26.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.759 1.624 . . . . 0.0 110.551 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -118.99 126.82 52.64 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.28 1.432 . . . . 0.0 110.774 169.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.18 168.7 18.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.598 1.559 . . . . 0.0 111.666 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.85 -40.47 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.351 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -152.54 173.01 15.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.412 1.485 . . . . 0.0 112.725 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.7 63.2 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.959 1.303 . . . . 0.0 113.813 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.78 59.75 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 120.099 1.318 . . . . 0.0 111.36 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 m -67.77 -46.0 73.28 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 120.797 -1.19 . . . . 0.0 112.117 170.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.65 -36.58 83.3 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.407 -1.433 . . . . 0.0 113.654 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -64.44 -40.07 95.02 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.217 0.607 . . . . 0.0 111.314 170.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.72 -46.39 82.5 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.664 -0.647 . . . . 0.0 112.142 174.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.31 -50.46 78.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 120.934 -1.104 . . . . 0.0 111.193 174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 18' ' ' THR . 22.7 m-85 -59.87 -36.71 77.49 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.14 -25.29 66.1 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 171.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -60.29 -35.87 76.58 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 119.311 -2.118 . . . . 0.0 112.568 172.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -91.67 -22.12 20.41 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.356 1.462 . . . . 0.0 114.46 175.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -132.92 22.45 4.19 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.41 -38.61 74.62 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.503 -1.373 . . . . 0.0 113.565 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -159.83 -68.41 0.08 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.213 1.805 . . . . 0.0 110.707 169.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 44.48 -66.49 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 131.186 3.794 . . . . 0.0 116.541 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.84 8.57 1.77 Allowed Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.91 1.243 . . . . 0.0 116.09 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.2 -43.85 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 119.082 1.441 . . . . 0.0 113.01 -171.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 t0 40.19 43.03 1.3 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 126.039 1.735 . . . . 0.0 114.899 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.55 173.92 48.08 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 115.905 1.122 . . . . 0.0 115.905 -170.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 123.3 27.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.38 1.872 . . . . 0.0 111.465 172.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -84.19 144.73 28.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.486 1.115 . . . . 0.0 113.36 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -138.94 153.37 48.21 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.234 1.813 . . . . 0.0 109.821 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -144.23 136.15 26.17 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.508 1.123 . . . . 0.0 112.911 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -118.13 102.18 8.81 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 127.055 2.142 . . . . 0.0 111.215 173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.96 -29.27 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.97 -18.18 12.56 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 177.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -128.83 -0.44 5.37 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 126.104 1.762 . . . . 0.0 114.138 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 52.2 48.86 21.8 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 120.303 -1.498 . . . . 0.0 113.414 -171.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 m -129.7 139.49 51.34 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.802 0.811 . . . . 0.0 112.998 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -108.82 145.92 34.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 129.262 3.025 . . . . 0.0 109.845 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -126.11 147.2 49.66 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.973 0.909 . . . . 0.0 110.22 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -132.97 123.65 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.241 1.817 . . . . 0.0 108.988 176.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 m -134.99 139.88 45.23 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.969 1.308 . . . . 0.0 114.087 -172.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.482 1.152 0 CA-C-N 119.646 1.112 . . . . 0.0 110.523 169.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -73.09 131.04 41.6 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.73 0.812 . . . . 0.0 111.631 174.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -124.53 158.84 31.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.055 1.742 . . . . 0.0 111.882 172.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.39 154.7 51.22 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.643 1.177 . . . . 0.0 112.547 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -131.05 132.44 44.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.635 2.374 . . . . 0.0 109.987 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -114.68 125.83 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.648 1.579 . . . . 0.0 108.49 172.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 65.2 tp -111.0 119.73 40.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.878 1.671 . . . . 0.0 110.245 -175.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -119.57 131.93 55.62 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.16 0.984 . . . . 0.0 109.282 172.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -179.74 45.12 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -102.19 -31.43 10.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.859 1.264 . . . . 0.0 112.61 -170.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 p -76.33 -40.04 52.39 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.68 1.192 . . . . 0.0 112.499 170.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 tp -151.51 146.21 25.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.263 1.425 . . . . 0.0 112.631 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -130.73 154.21 48.2 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.532 1.533 . . . . 0.0 109.639 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.51 -174.33 43.84 Favored Glycine 0 N--CA 1.472 1.088 0 N-CA-C 116.312 1.285 . . . . 0.0 116.312 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -147.97 133.45 18.66 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.957 2.103 . . . . 0.0 110.796 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.5 p -141.4 163.76 32.06 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.333 1.053 . . . . 0.0 113.14 -176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -146.4 142.07 27.82 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.142 1.377 . . . . 0.0 111.569 -170.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -142.57 166.23 25.23 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.928 2.091 . . . . 0.0 111.717 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -127.1 112.35 15.08 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.311 1.445 . . . . 0.0 110.75 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.06 166.14 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 125.764 1.626 . . . . 0.0 111.714 -170.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.85 -40.56 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.375 177.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -156.16 173.39 16.9 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.45 1.5 . . . . 0.0 110.26 174.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -28.19 36.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.367 1.867 . . . . 0.0 113.244 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.85 56.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.558 1.143 . . . . 0.0 112.168 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 58.0 m -75.5 -40.51 57.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.909 -1.12 . . . . 0.0 111.341 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.02 84.96 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.736 -1.228 . . . . 0.0 113.242 170.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.22 -39.76 95.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.636 0.774 . . . . 0.0 111.528 170.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.02 -45.98 86.49 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.695 -0.628 . . . . 0.0 112.637 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.51 -53.97 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 120.803 -1.186 . . . . 0.0 111.024 173.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -58.49 -37.75 76.19 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -67.86 -27.74 66.94 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.204 -0.935 . . . . 0.0 113.189 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -36.41 83.58 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 119.987 -1.696 . . . . 0.0 112.409 172.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -89.78 -17.54 28.01 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 115.537 1.681 . . . . 0.0 115.537 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -136.47 10.89 3.22 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 118.443 2.757 . . . . 0.0 118.443 -169.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 47.5 p-10 -70.96 -54.89 9.68 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -153.12 10.49 0.45 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -63.13 -32.46 73.85 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.6 -0.688 . . . . 0.0 111.969 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.43 -25.69 0.03 OUTLIER Glycine 0 CA--C 1.533 1.217 0 N-CA-C 117.106 1.602 . . . . 0.0 117.106 178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.24 -58.19 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-N 119.157 1.479 . . . . 0.0 112.575 -174.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t0 36.15 41.93 0.15 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.597 1.959 . . . . 0.0 114.679 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 -176.87 28.66 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.089 1.328 . . . . 0.0 114.725 -169.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.39 122.04 21.43 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.437 1.095 . . . . 0.0 110.191 170.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -94.86 139.58 31.1 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.358 1.063 . . . . 0.0 111.027 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.1 m -138.84 154.32 48.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.72 2.008 . . . . 0.0 109.391 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -142.85 137.97 29.97 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.766 -1.208 . . . . 0.0 111.734 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.07 112.88 20.8 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.713 2.005 . . . . 0.0 109.47 171.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -76.25 -32.98 59.17 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.582 0.753 . . . . 0.0 112.453 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.26 -10.01 9.59 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 13.6 t -129.47 12.29 5.91 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.404 1.482 . . . . 0.0 114.407 169.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt 39.76 40.39 0.67 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.964 1.706 . . . . 0.0 115.006 -172.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 90.9 m -126.24 135.53 51.68 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 121.532 -0.73 . . . . 0.0 112.199 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -102.34 145.55 29.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.954 2.102 . . . . 0.0 109.281 174.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 57.9 m -127.33 139.45 52.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.134 0.973 . . . . 0.0 109.756 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.06 132.83 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.502 1.121 . . . . 0.0 109.676 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 91.2 m -134.68 133.13 39.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.908 0.883 . . . . 0.0 112.2 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.248 1.012 0 C-N-CA 127.939 2.496 . . . . 0.0 111.307 -176.65 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 ttm . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -73.08 132.72 43.67 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.854 0.862 . . . . 0.0 111.161 174.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -124.95 158.68 33.01 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.134 1.774 . . . . 0.0 111.697 170.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -132.29 155.26 48.66 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.016 1.326 . . . . 0.0 113.025 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -134.05 129.29 35.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.883 2.473 . . . . 0.0 110.938 -177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.6 mt -109.22 116.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.568 1.547 . . . . 0.0 109.619 175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.1 tp -98.12 118.04 33.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.098 1.359 . . . . 0.0 111.305 -177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -120.19 135.27 55.03 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.724 1.61 . . . . 0.0 109.97 169.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.71 177.52 48.47 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 -178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -89.11 -10.45 47.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.72 1.608 . . . . 0.0 113.26 -175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.9 m -129.68 -25.91 2.54 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.543 1.537 . . . . 0.0 113.004 -169.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 tp -151.75 141.6 21.97 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.892 1.277 . . . . 0.0 110.704 173.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -134.81 148.91 50.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.065 1.346 . . . . 0.0 110.167 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.52 -170.41 43.03 Favored Glycine 0 N--CA 1.475 1.297 0 N-CA-C 117.207 1.643 . . . . 0.0 117.207 -175.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -144.1 126.73 16.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.358 1.863 . . . . 0.0 111.955 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 p -134.41 160.93 36.46 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -146.31 141.24 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.002 1.321 . . . . 0.0 111.253 -170.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -141.96 164.44 30.16 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.238 1.815 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -120.19 117.93 29.18 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.101 1.76 . . . . 0.0 109.681 174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.38 160.35 39.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.511 1.525 . . . . 0.0 111.749 -169.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -64.33 -38.78 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.61 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -152.71 171.42 18.24 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.06 1.744 . . . . 0.0 111.805 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.71 -31.09 62.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.656 1.182 . . . . 0.0 113.235 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.94 -36.9 62.11 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.666 1.186 . . . . 0.0 111.456 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.1 m -67.11 -45.38 77.38 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 120.736 -1.228 . . . . 0.0 111.977 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.31 91.18 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.895 -1.128 . . . . 0.0 113.067 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.4 -40.08 93.06 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.127 0.971 . . . . 0.0 111.062 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -67.08 -44.58 79.7 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.9 t -60.87 -47.64 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 120.322 -1.486 . . . . 0.0 111.56 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -60.47 -41.45 94.19 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 175.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -64.49 -33.99 77.18 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.431 -0.793 . . . . 0.0 111.763 173.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.79 -35.47 78.28 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 119.598 -1.939 . . . . 0.0 112.892 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.23 -21.56 33.36 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -137.52 19.61 2.91 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 -169.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.58 -34.26 53.67 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 119.819 -1.801 . . . . 0.0 114.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -161.53 5.24 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.251 1.945 . . . . 0.0 116.251 -169.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -64.38 -31.63 72.91 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 121.129 -0.982 . . . . 0.0 111.991 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.08 -39.34 0.04 OUTLIER Glycine 0 N--CA 1.473 1.134 0 N-CA-C 117.499 1.759 . . . . 0.0 117.499 174.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.36 -47.59 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 118.166 0.983 . . . . 0.0 112.993 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 37.45 43.49 0.41 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 126.229 1.812 . . . . 0.0 113.749 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.57 176.98 41.89 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.802 1.192 . . . . 0.0 115.926 -169.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.12 117.74 19.7 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.953 1.701 . . . . 0.0 110.907 171.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -80.26 143.64 33.53 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.365 1.066 . . . . 0.0 112.236 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 m -139.01 153.97 48.19 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.385 1.874 . . . . 0.0 109.817 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -143.93 137.86 28.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.504 1.122 . . . . 0.0 112.799 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -117.96 104.29 10.75 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.198 2.199 . . . . 0.0 110.477 171.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.16 -26.75 65.02 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 113.482 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -27.55 39.08 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.274 1.429 . . . . 0.0 113.445 172.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.3 p -128.76 9.25 5.87 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 112.709 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt 38.8 43.07 0.69 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.781 2.032 . . . . 0.0 114.07 -170.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -127.43 134.71 49.85 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 122.098 0.952 . . . . 0.0 112.466 -171.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -103.65 145.89 29.39 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 128.919 2.888 . . . . 0.0 110.069 175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -126.28 145.5 50.39 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.696 0.798 . . . . 0.0 109.883 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.4 t -132.76 125.67 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.223 1.409 . . . . 0.0 109.292 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -134.96 139.85 45.24 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.022 1.329 . . . . 0.0 113.715 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 124.348 1.059 . . . . 0.0 111.03 169.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.474 ' SD ' ' HE2' ' B' ' 50' ' ' LYS . 51.6 ttm . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -76.96 129.44 36.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.504 0.722 . . . . 0.0 111.531 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.51 159.34 30.79 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.881 1.672 . . . . 0.0 111.925 173.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -135.52 153.54 51.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.89 1.276 . . . . 0.0 112.642 -171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -132.54 122.1 24.3 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.027 2.131 . . . . 0.0 111.129 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -101.28 115.7 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.273 1.429 . . . . 0.0 108.853 172.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 12.4 tp -99.65 119.17 37.66 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.774 1.63 . . . . 0.0 109.578 -175.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.19 111.14 17.45 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.683 0.793 . . . . 0.0 110.776 171.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.16 172.88 33.45 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.044 0.83 . . . . 0.0 114.97 -177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.08 -38.57 22.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.536 1.134 . . . . 0.0 112.876 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -79.68 -35.59 38.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.789 0.835 . . . . 0.0 112.691 174.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.95 146.17 28.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.126 0.971 . . . . 0.0 113.424 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mttp -130.98 151.0 51.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.894 1.277 . . . . 0.0 110.231 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.86 -172.3 43.16 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -141.68 133.57 27.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.945 1.698 . . . . 0.0 111.314 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.3 p -136.83 165.06 26.84 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.032 0.933 . . . . 0.0 112.867 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.04 146.26 30.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.59 1.556 . . . . 0.0 111.044 -171.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -144.54 165.97 26.49 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.838 1.655 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -128.37 109.88 11.84 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.883 1.273 . . . . 0.0 110.174 174.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.88 167.38 19.05 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.475 1.51 . . . . 0.0 111.786 -169.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.8 p -69.95 -34.75 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.943 -177.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -154.16 168.2 27.32 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.69 1.596 . . . . 0.0 110.528 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.35 -35.16 50.36 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.044 1.738 . . . . 0.0 112.628 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.43 66.4 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.598 1.159 . . . . 0.0 112.661 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 22.1 m -71.89 -43.26 65.67 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.31 -0.869 . . . . 0.0 111.349 172.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.01 97.71 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.983 -1.073 . . . . 0.0 113.017 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.67 -43.1 94.09 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.415 1.086 . . . . 0.0 111.14 172.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.94 -48.38 82.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -57.66 -50.23 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 119.355 0.98 . . . . 0.0 111.604 175.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -60.7 -39.99 90.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.14 -0.975 . . . . 0.0 112.985 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.62 -20.34 61.29 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -69.03 -43.21 75.19 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.625 1.102 . . . . 0.0 111.906 171.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -78.43 -37.87 42.73 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.046 0.938 . . . . 0.0 113.519 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -111.78 24.97 12.1 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 -169.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.63 -49.19 65.64 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -170.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -160.53 32.29 0.16 Allowed 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.13 1.772 . . . . 0.0 112.925 -171.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.47 -26.17 46.02 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 122.07 0.938 . . . . 0.0 112.35 -174.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.13 -38.91 0.18 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 127.959 2.695 . . . . 0.0 111.709 176.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 15.1 m -71.02 38.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 127.66 2.384 . . . . 0.0 115.794 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -65.86 -5.97 10.72 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.921 1.688 . . . . 0.0 111.978 169.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.74 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.54 1.643 0 C-N-CA 130.407 3.861 . . . . 0.0 117.981 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -86.5 115.61 24.1 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.92 1.688 . . . . 0.0 111.737 -170.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.7 m95 -88.09 143.09 27.27 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.398 1.079 . . . . 0.0 110.953 171.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -138.92 156.08 47.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.09 2.156 . . . . 0.0 110.048 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -143.17 141.72 31.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.035 1.334 . . . . 0.0 112.701 175.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -118.12 124.21 47.46 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.208 2.203 . . . . 0.0 111.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.58 -32.2 28.6 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.57 -17.39 63.91 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 120.823 -1.173 . . . . 0.0 114.067 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.2 1.91 5.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 112.978 -1.919 . . . . 0.0 113.997 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HE2' ' SD ' ' B' ' 1' ' ' MET . 47.6 mmtm 50.12 33.44 7.03 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.462 1.505 . . . . 0.0 112.385 175.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 75.4 m -121.54 135.27 55.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.383 -169.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.05 145.58 30.29 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.917 2.087 . . . . 0.0 109.387 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 70.3 m -129.93 142.59 50.63 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.015 0.926 . . . . 0.0 109.349 174.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -131.24 135.35 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.276 0.631 . . . . 0.0 111.278 170.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.1 m -134.69 135.88 42.34 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.445 1.098 . . . . 0.0 111.625 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.004 1.322 . . . . 0.0 111.622 169.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.517 0.199 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.14 132.38 43.19 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.605 0.762 . . . . 0.0 110.573 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -124.93 155.59 39.33 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.583 1.553 . . . . 0.0 111.203 170.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.7 tttp -132.98 155.37 49.26 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.088 0.955 . . . . 0.0 113.227 -174.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -134.52 130.27 36.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.347 2.259 . . . . 0.0 109.924 -173.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.0 mt -110.73 130.44 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.104 1.761 . . . . 0.0 108.715 174.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.1 tp -113.59 119.49 37.66 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.667 1.587 . . . . 0.0 112.181 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -117.32 133.2 56.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.281 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.25 174.88 43.7 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.722 1.153 . . . . 0.0 115.047 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -88.74 -37.97 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.858 1.263 . . . . 0.0 113.425 -172.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -100.69 -20.04 15.79 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.444 1.498 . . . . 0.0 113.844 178.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -151.69 144.97 24.71 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.334 1.454 . . . . 0.0 112.172 -176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -140.62 159.05 43.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.618 1.967 . . . . 0.0 109.853 175.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.04 -169.87 42.91 Favored Glycine 0 N--CA 1.474 1.19 0 N-CA-C 116.334 1.294 . . . . 0.0 116.334 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -146.22 146.63 30.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.197 1.799 . . . . 0.0 112.156 173.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -141.01 161.09 38.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.374 1.07 . . . . 0.0 113.543 174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.88 144.18 33.7 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.366 1.467 . . . . 0.0 110.69 -176.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.444 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.2 t -146.17 159.78 42.85 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.535 1.534 . . . . 0.0 110.067 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -114.41 120.57 40.76 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.306 1.442 . . . . 0.0 109.906 171.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.33 164.21 28.63 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.577 1.551 . . . . 0.0 111.268 -173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.03 -38.28 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.399 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -153.53 171.47 18.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.182 1.793 . . . . 0.0 112.063 176.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.1 -28.81 59.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.693 1.197 . . . . 0.0 113.395 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -36.18 59.56 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.558 1.143 . . . . 0.0 111.301 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 m -69.61 -44.43 70.71 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.807 -1.183 . . . . 0.0 111.78 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.16 84.77 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.628 -1.295 . . . . 0.0 113.437 172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.34 -39.43 93.06 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.65 0.78 . . . . 0.0 110.732 170.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -68.12 -43.3 78.71 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.972 0.805 . . . . 0.0 113.108 175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 O-C-N 120.08 -1.637 . . . . 0.0 111.368 172.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' A' ' 18' ' ' THR . 21.4 m-85 -60.0 -42.26 93.87 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.539 -0.726 . . . . 0.0 112.893 176.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -66.28 -26.21 67.23 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.437 -0.789 . . . . 0.0 112.737 174.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -71.17 -37.4 72.19 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.682 1.583 . . . . 0.0 112.953 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -78.26 -18.93 54.68 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -133.23 24.37 4.16 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 116.584 2.068 . . . . 0.0 116.584 -170.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -64.74 -67.75 0.41 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -156.19 16.18 0.34 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.58 1.552 . . . . 0.0 114.505 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -58.73 -35.58 72.92 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 123.203 0.601 . . . . 0.0 112.279 169.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.27 -30.19 0.03 OUTLIER Glycine 0 CA--C 1.534 1.266 0 N-CA-C 116.658 1.423 . . . . 0.0 116.658 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.0 t -64.52 -56.03 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.587 1.194 . . . . 0.0 112.934 -173.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.8 t0 36.68 47.88 0.59 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 126.072 1.749 . . . . 0.0 114.206 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.62 -174.98 19.94 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.173 1.368 . . . . 0.0 115.679 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -90.98 118.11 30.11 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.131 2.173 . . . . 0.0 112.078 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -85.71 143.9 28.1 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.975 1.31 . . . . 0.0 113.341 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -138.9 154.52 48.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.62 1.968 . . . . 0.0 109.564 174.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -142.62 142.01 32.03 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.964 1.257 . . . . 0.0 112.89 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -117.85 114.06 22.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.749 2.019 . . . . 0.0 112.197 174.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.19 -11.12 59.5 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 176.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.01 53.77 Favored 'General case' 0 CA--C 1.558 1.281 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 t -128.94 9.2 5.77 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.668 1.987 . . . . 0.0 114.512 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt 55.47 46.38 23.26 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.904 1.682 . . . . 0.0 113.526 172.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.3 m -133.9 142.75 47.88 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.077 0.951 . . . . 0.0 112.105 -170.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -108.46 145.84 34.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 128.575 2.75 . . . . 0.0 109.62 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 m -135.49 114.87 12.52 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.673 0.789 . . . . 0.0 111.23 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.55 131.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.822 1.249 . . . . 0.0 110.744 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.1 m -134.88 139.86 45.34 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.228 1.411 . . . . 0.0 112.257 -172.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 124.124 0.97 . . . . 0.0 111.546 171.785 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.68 130.91 40.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.815 0.846 . . . . 0.0 112.044 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -124.66 158.72 32.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.874 1.67 . . . . 0.0 112.052 170.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -135.48 155.22 50.87 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.708 1.203 . . . . 0.0 112.96 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -133.38 133.71 42.78 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.315 2.246 . . . . 0.0 110.374 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 42.8 mt -114.45 126.39 71.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.74 1.616 . . . . 0.0 108.478 171.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 tt -113.56 119.36 37.23 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.711 1.604 . . . . 0.0 108.921 -173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -120.19 111.12 17.42 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.628 0.771 . . . . 0.0 109.915 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.99 172.03 21.87 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.377 1.465 . . . . 0.0 114.609 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -68.56 -26.69 65.54 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -172.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 18.5 p -126.01 -19.89 4.69 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 114.031 -173.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -143.27 142.74 31.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.907 1.683 . . . . 0.0 110.683 -177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -136.23 151.1 49.33 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.831 1.252 . . . . 0.0 111.523 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.82 -174.83 46.08 Favored Glycine 0 N--CA 1.47 0.916 0 N-CA-C 115.675 1.03 . . . . 0.0 115.675 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -145.77 138.33 25.7 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.461 1.905 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -137.96 163.34 31.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.008 0.923 . . . . 0.0 112.741 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -142.06 142.14 32.82 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.434 1.494 . . . . 0.0 110.439 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 12.3 t -137.13 164.31 28.75 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.154 1.782 . . . . 0.0 111.321 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -130.25 109.87 11.11 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.195 1.398 . . . . 0.0 109.897 171.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.89 168.5 17.75 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 125.368 1.467 . . . . 0.0 111.389 -170.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.47 -36.41 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.596 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -154.9 169.57 23.71 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.533 1.533 . . . . 0.0 110.325 177.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.23 -34.31 31.76 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.856 2.062 . . . . 0.0 112.838 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.29 65.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.614 1.166 . . . . 0.0 112.316 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 21.8 m -73.24 -42.68 62.28 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.901 -1.125 . . . . 0.0 111.701 173.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.06 97.88 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.814 -1.179 . . . . 0.0 113.051 171.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.38 -41.27 93.43 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.665 0.786 . . . . 0.0 111.164 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.13 -51.5 67.64 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 118.497 -0.763 . . . . 0.0 112.671 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 81.5 t -56.93 -46.84 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 120.645 1.566 . . . . 0.0 111.275 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -61.93 -39.15 91.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -71.41 -25.71 62.45 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -71.6 -45.52 61.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.72 1.208 . . . . 0.0 112.019 170.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.72 -45.54 74.74 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -113.25 37.01 3.31 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -169.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -59.38 -54.21 49.38 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -166.47 32.37 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.991 1.717 . . . . 0.0 112.9 -171.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -64.69 -33.25 75.5 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.098 -1.001 . . . . 0.0 111.609 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.98 23.08 0.03 OUTLIER Glycine 0 CA--C 1.537 1.445 0 C-N-CA 126.152 1.834 . . . . 0.0 115.417 -175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.8 p -148.92 36.99 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.897 1.679 . . . . 0.0 111.314 -172.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -67.23 39.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.968 2.507 . . . . 0.0 113.71 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.47 -167.94 43.69 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 126.558 2.028 . . . . 0.0 115.081 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -70.02 124.68 24.68 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.84 1.256 . . . . 0.0 111.247 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -90.56 144.56 25.66 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.087 0.955 . . . . 0.0 111.645 172.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 29.0 m -138.88 153.84 48.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.041 2.136 . . . . 0.0 109.118 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -144.32 136.12 26.0 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.78 1.173 . . . . 0.0 111.794 176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.08 107.37 13.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.558 1.943 . . . . 0.0 110.512 173.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -70.91 -27.03 63.49 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.068 0.947 . . . . 0.0 113.46 -175.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.76 -16.67 11.96 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.457 1.903 . . . . 0.0 114.609 171.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.1 p -129.05 0.96 5.25 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.53 1.932 . . . . 0.0 113.778 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt 41.37 36.14 0.49 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.862 1.665 . . . . 0.0 113.865 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -120.5 133.92 55.34 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.204 0.526 . . . . 0.0 111.573 -170.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -102.31 145.51 29.36 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.477 2.311 . . . . 0.0 108.886 172.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 69.5 m -128.26 140.78 51.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.15 0.98 . . . . 0.0 110.092 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 16.7 t -127.21 130.82 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.924 1.289 . . . . 0.0 109.787 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -134.71 122.49 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.743 0.817 . . . . 0.0 112.461 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 128.526 2.73 . . . . 0.0 109.656 -179.25 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 tpp . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.04 132.63 43.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.19 0.996 . . . . 0.0 111.095 172.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -124.87 160.17 29.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.897 1.679 . . . . 0.0 111.701 170.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.9 155.31 50.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.291 1.436 . . . . 0.0 112.832 -173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -134.25 135.82 43.18 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 128.495 2.718 . . . . 0.0 110.472 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.3 mt -118.26 129.1 75.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.64 1.576 . . . . 0.0 109.697 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.3 tp -109.27 119.36 39.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.679 1.591 . . . . 0.0 111.346 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -120.01 133.54 55.51 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.697 1.599 . . . . 0.0 110.329 169.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.22 171.02 39.59 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.632 1.111 . . . . 0.0 114.321 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.4 -36.09 46.24 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.728 1.211 . . . . 0.0 113.809 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.1 p -94.71 -25.44 16.71 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.75 1.22 . . . . 0.0 114.164 -176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -151.75 149.2 28.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.141 1.376 . . . . 0.0 111.869 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -135.19 159.06 42.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.59 1.556 . . . . 0.0 108.935 169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.26 -174.2 44.29 Favored Glycine 0 N--CA 1.475 1.288 0 N-CA-C 116.999 1.559 . . . . 0.0 116.999 -176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -146.78 132.22 18.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.707 2.003 . . . . 0.0 111.527 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 p -135.97 160.21 39.33 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -144.92 142.31 29.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.923 1.289 . . . . 0.0 110.765 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 t -146.32 160.95 41.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.703 1.601 . . . . 0.0 110.375 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -111.77 125.62 54.19 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.318 1.447 . . . . 0.0 109.852 172.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.25 166.62 23.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.269 1.427 . . . . 0.0 111.542 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 p -64.14 -44.26 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.617 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -150.06 168.79 22.86 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.76 1.624 . . . . 0.0 111.673 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.13 -28.92 11.99 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 126.859 2.063 . . . . 0.0 113.108 174.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.43 -37.65 43.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.006 1.322 . . . . 0.0 112.084 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.9 m -69.95 -42.69 72.89 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.295 -1.503 . . . . 0.0 111.914 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.88 86.23 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.842 -1.161 . . . . 0.0 113.001 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -62.94 -39.58 95.03 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.297 0.639 . . . . 0.0 110.825 170.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -67.17 -45.31 77.37 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.13 0.877 . . . . 0.0 113.147 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.2 -50.03 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 O-C-N 120.355 -1.465 . . . . 0.0 111.114 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 18' ' ' THR . 20.2 m-85 -59.4 -41.68 90.0 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 177.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -68.97 -20.55 64.18 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -72.95 -47.46 45.28 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.563 -1.336 . . . . 0.0 113.1 170.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -67.4 -34.01 76.37 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 119.252 0.933 . . . . 0.0 112.729 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . 0.25 65.0 m-85 -113.94 32.78 5.63 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.699 1.6 . . . . 0.0 114.304 -171.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -56.26 -44.18 79.45 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.668 1.187 . . . . 0.0 114.134 -177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -156.01 -61.13 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.287 1.435 . . . . 0.0 112.175 169.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 49.74 30.31 3.67 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 125.701 1.6 . . . . 0.0 114.093 -176.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.71 21.63 58.44 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.608 1.575 . . . . 0.0 115.201 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -119.38 -36.31 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.018 1.727 . . . . 0.0 111.421 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 33.6 44.63 0.08 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 128.108 2.563 . . . . 0.0 116.756 169.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.36 166.51 45.17 Favored Glycine 0 CA--C 1.538 1.478 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 -169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.2 116.74 7.6 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.102 1.761 . . . . 0.0 110.771 169.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -80.03 139.51 36.92 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.794 0.807 . . . . 0.0 111.08 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 m -138.9 152.45 47.78 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.657 1.983 . . . . 0.0 109.344 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -144.6 137.13 26.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -118.08 101.33 8.16 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 127.096 2.158 . . . . 0.0 110.879 172.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -56.71 -41.07 76.77 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.248 1.419 . . . . 0.0 113.775 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.98 -19.15 28.48 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.3 1.44 . . . . 0.0 114.849 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.9 t -128.72 12.8 6.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.691 1.996 . . . . 0.0 112.638 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 46.49 40.83 8.72 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.474 1.91 . . . . 0.0 113.62 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.9 m -125.63 134.76 51.77 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -171.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -101.83 145.95 28.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.407 3.083 . . . . 0.0 110.168 173.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.3 m -128.98 146.25 51.02 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.863 0.865 . . . . 0.0 110.366 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.99 124.67 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.035 1.734 . . . . 0.0 109.752 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -135.02 139.87 45.18 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.679 1.592 . . . . 0.0 113.355 -176.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 N--CA 1.485 1.308 0 CA-C-N 120.186 1.357 . . . . 0.0 111.496 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -74.54 128.78 36.4 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.538 0.735 . . . . 0.0 111.13 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -124.64 158.5 32.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.675 1.59 . . . . 0.0 111.782 172.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -135.47 155.36 50.66 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.736 1.215 . . . . 0.0 112.768 -175.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -132.58 111.09 10.93 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.567 2.347 . . . . 0.0 110.534 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt -88.35 128.4 40.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.219 1.408 . . . . 0.0 109.406 171.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.7 119.75 40.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.418 1.887 . . . . 0.0 110.663 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -116.96 134.85 54.22 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.412 1.085 . . . . 0.0 110.256 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.15 -177.26 40.3 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.203 1.382 . . . . 0.0 114.306 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.3 4.53 26.61 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.8 1.64 . . . . 0.0 113.715 -171.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.3 m -132.89 -42.84 0.9 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.76 1.624 . . . . 0.0 111.472 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.27 145.44 34.03 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.25 1.42 . . . . 0.0 110.628 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -137.16 156.98 47.68 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 111.33 178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.51 -169.69 42.8 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.16 1.224 . . . . 0.0 116.16 -177.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -144.85 138.23 26.88 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.969 2.107 . . . . 0.0 111.124 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.5 p -135.34 157.95 45.6 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.036 0.935 . . . . 0.0 112.318 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 141.41 29.62 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.895 1.278 . . . . 0.0 111.32 -169.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -141.99 166.19 25.38 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 126.302 1.841 . . . . 0.0 111.485 -176.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -129.26 110.13 11.71 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.202 1.401 . . . . 0.0 110.007 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.23 168.73 17.01 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.694 1.598 . . . . 0.0 111.246 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 5.3 p -68.16 -39.27 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.764 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -150.82 169.03 22.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.487 1.515 . . . . 0.0 110.443 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.25 -31.49 21.14 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.038 2.135 . . . . 0.0 113.012 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.84 55.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.824 1.249 . . . . 0.0 112.841 177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 19.6 m -76.76 -42.43 40.96 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.872 -1.143 . . . . 0.0 111.058 172.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.12 91.1 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.014 -1.054 . . . . 0.0 112.698 169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -60.12 -39.64 86.94 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.038 0.935 . . . . 0.0 111.511 169.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.68 -43.22 89.93 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.57 -48.78 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 O-C-N 120.324 -1.485 . . . . 0.0 111.509 172.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -60.33 -41.13 92.93 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.367 -0.833 . . . . 0.0 112.873 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -71.24 -20.53 62.23 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.93 -47.42 52.59 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.1 -1.0 . . . . 0.0 112.672 169.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -69.98 -39.57 75.88 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.569 1.077 . . . . 0.0 112.794 174.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -103.43 31.28 4.44 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.724 1.61 . . . . 0.0 113.341 -174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -54.88 -34.04 62.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.471 1.508 . . . . 0.0 114.873 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -159.6 -71.54 0.08 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.958 1.303 . . . . 0.0 112.619 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 45.51 23.62 0.14 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.196 2.198 . . . . 0.0 115.453 -173.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.47 10.44 17.01 Favored Glycine 0 CA--C 1.546 1.972 0 C-N-CA 126.965 2.221 . . . . 0.0 114.649 -169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 56.4 t -81.09 -51.64 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 126.04 1.736 . . . . 0.0 109.648 172.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 35.25 42.63 0.11 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.512 2.325 . . . . 0.0 114.645 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.04 53.36 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.338 1.447 . . . . 0.0 116.288 -169.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -76.3 144.19 40.4 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.718 1.607 . . . . 0.0 111.39 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m95 -109.09 142.02 40.43 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.323 1.449 . . . . 0.0 112.671 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 156.75 46.97 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.739 2.016 . . . . 0.0 110.122 -178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -146.44 135.78 22.84 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.939 1.245 . . . . 0.0 112.778 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -118.22 113.95 22.29 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.563 169.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.87 -31.82 59.43 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.36 7.34 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.034 1.334 . . . . 0.0 114.581 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -129.13 12.11 6.06 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.084 1.753 . . . . 0.0 113.705 169.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm 37.74 42.31 0.39 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.579 1.952 . . . . 0.0 114.524 -173.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -128.76 138.91 52.36 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.544 0.688 . . . . 0.0 112.375 -169.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -101.67 145.71 28.73 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.615 2.366 . . . . 0.0 109.713 174.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.8 m -131.18 125.12 32.17 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.72 0.808 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -116.46 128.79 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 125.472 1.509 . . . . 0.0 110.034 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -134.94 139.68 45.13 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.438 1.095 . . . . 0.0 112.019 -175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.305 170.937 . . . . . . . . 0 0 . 1 stop_ save_